 Entering Gaussian System, Link 0=g16
 Input=18_methylcyclopentanone_Chair_STD_wB97XD-def2SVPDr.in
 Output=18_methylcyclopentanone_Chair_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/18_methylcyclopentanone_Chair_STD/Gau-40700.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/18_methylcyclopentanone_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     40702.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=18_methylcyclopentanone_Chair_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 17:56:15 2021, MaxMem= 10737418240 cpu:               2.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "18_methylcyclopentanone_Chair_STD_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.561346000000      1.265532000000      0.172998000000
  C                                                 1.075011000000     -0.082384000000     -0.372450000000
  C                                                -0.949016000000      1.226539000000     -0.069358000000
  C                                                -1.318654000000     -0.252798000000      0.015396000000
  C                                                -0.029451000000     -1.065890000000      0.032823000000
  H                                                -1.198655000000      1.562128000000     -1.081455000000
  H                                                -1.551039000000      1.816556000000      0.620921000000
  O                                                -2.436471000000     -0.697326000000      0.059393000000
  H                                                -0.115613000000     -1.955716000000     -0.590107000000
  H                                                 0.122949000000     -1.406004000000      1.064587000000
  H                                                 1.054617000000      2.117373000000     -0.295556000000
  H                                                 0.767800000000      1.319480000000      1.246510000000
  C                                                 2.468129000000     -0.457422000000      0.107541000000
  H                                                 1.085579000000     -0.017304000000     -1.466677000000
  H                                                 2.491050000000     -0.538135000000      1.197571000000
  H                                                 3.202798000000      0.295018000000     -0.187539000000
  H                                                 2.788086000000     -1.416262000000     -0.305093000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12           1           1          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           1           1          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul 23 17:56:16 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.561346    1.265532    0.172998
      2          6           0        1.075011   -0.082384   -0.372450
      3          6           0       -0.949016    1.226539   -0.069358
      4          6           0       -1.318654   -0.252798    0.015396
      5          6           0       -0.029451   -1.065890    0.032823
      6          1           0       -1.198655    1.562128   -1.081455
      7          1           0       -1.551039    1.816556    0.620921
      8          8           0       -2.436471   -0.697326    0.059393
      9          1           0       -0.115613   -1.955716   -0.590107
     10          1           0        0.122949   -1.406004    1.064587
     11          1           0        1.054617    2.117373   -0.295556
     12          1           0        0.767800    1.319480    1.246510
     13          6           0        2.468129   -0.457422    0.107541
     14          1           0        1.085579   -0.017304   -1.466677
     15          1           0        2.491050   -0.538135    1.197571
     16          1           0        3.202798    0.295018   -0.187539
     17          1           0        2.788086   -1.416262   -0.305093
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.542155   0.000000
     3  C    1.530180   2.429368   0.000000
     4  C    2.421686   2.430864   1.527172   0.000000
     5  C    2.409195   1.533417   2.472099   1.524292   0.000000
     6  H    2.181565   2.894247   1.095116   2.124015   3.084661
     7  H    2.228549   3.389528   1.089512   2.168615   3.312036
     8  O    3.585056   3.590981   2.435232   1.203767   2.435219
     9  H    3.378911   2.230321   3.330539   2.171145   1.089613
    10  H    2.850303   2.173354   3.060265   2.123418   1.097014
    11  H    1.090180   2.201195   2.204381   3.368504   3.378787
    12  H    1.094514   2.163477   2.165087   2.888077   2.792604
    13  C    2.570735   1.520468   3.813646   3.793427   2.571716
    14  H    2.146863   1.096212   2.763914   2.834137   2.142738
    15  H    2.833147   2.162832   4.068567   3.999100   2.826321
    16  H    2.837103   2.168894   4.256672   4.559036   3.513981
    17  H    3.518375   2.172186   4.583219   4.280383   2.859277
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.756984   0.000000
     8  O    2.817597   2.723767   0.000000
     9  H    3.713439   4.213914   2.718782   0.000000
    10  H    3.893834   3.658411   2.839590   1.759860   0.000000
    11  H    2.450137   2.778464   4.498468   4.248088   3.890010
    12  H    3.056999   2.452644   3.967884   3.857524   2.806634
    13  C    4.351735   4.646315   4.910700   3.067136   2.704739
    14  H    2.803699   3.830517   3.898225   2.443088   3.043426
    15  H    4.818608   4.713340   5.059768   3.464105   2.525625
    16  H    4.666631   5.056447   5.731237   4.029853   3.734537
    17  H    5.036631   5.489683   5.286371   2.967105   2.996512
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.759791   0.000000
    13  C    2.964806   2.710304   0.000000
    14  H    2.435021   3.041276   2.140867   0.000000
    15  H    3.368158   2.534308   1.093254   3.056932   0.000000
    16  H    2.819100   3.005867   1.092235   2.493262   1.766142
    17  H    3.935935   3.738089   1.091794   2.490962   1.765598
                   16         17
    16  H    0.000000
    17  H    1.764733   0.000000
 Stoichiometry    C6H10O
 Framework group  C1[X(C6H10O)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.19D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.561346    1.265532    0.172998
      2          6           0        1.075011   -0.082384   -0.372450
      3          6           0       -0.949016    1.226539   -0.069358
      4          6           0       -1.318654   -0.252798    0.015396
      5          6           0       -0.029451   -1.065890    0.032823
      6          1           0       -1.198655    1.562128   -1.081455
      7          1           0       -1.551039    1.816556    0.620921
      8          8           0       -2.436471   -0.697326    0.059393
      9          1           0       -0.115613   -1.955716   -0.590107
     10          1           0        0.122949   -1.406004    1.064587
     11          1           0        1.054617    2.117373   -0.295556
     12          1           0        0.767800    1.319480    1.246510
     13          6           0        2.468129   -0.457421    0.107541
     14          1           0        1.085579   -0.017304   -1.466677
     15          1           0        2.491050   -0.538134    1.197571
     16          1           0        3.202798    0.295019   -0.187539
     17          1           0        2.788086   -1.416261   -0.305093
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           5.4414929           1.9527670           1.5305717
 Leave Link  202 at Fri Jul 23 17:56:16 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      9     10     11     12     14     15     16     17
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5     13
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   237 symmetry adapted cartesian basis functions of A   symmetry.
 There are   223 symmetry adapted basis functions of A   symmetry.
   223 basis functions,   327 primitive gaussians,   237 cartesian basis functions
    27 alpha electrons       27 beta electrons
       nuclear repulsion energy       306.1006696928 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0098507009 Hartrees.
 Nuclear repulsion after empirical dispersion term =      306.0908189920 Hartrees.
 Leave Link  301 at Fri Jul 23 17:56:17 2021, MaxMem= 10737418240 cpu:              14.5 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   223 RedAO= T EigKep=  7.04D-05  NBF=   223
 NBsUse=   223 1.00D-06 EigRej= -1.00D+00 NBFU=   223
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   237   237   237   237   237 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Fri Jul 23 17:56:18 2021, MaxMem= 10737418240 cpu:               5.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 17:56:18 2021, MaxMem= 10737418240 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "18_methylcyclopentanone_Chair_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 17:56:19 2021, MaxMem= 10737418240 cpu:               4.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737299669 LenY= 10737243059
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -309.584954191437    
 DIIS: error= 3.83D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -309.584954191437     IErMin= 1 ErrMin= 3.83D-03
 ErrMax= 3.83D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.73D-03 BMatP= 7.73D-03
 IDIUse=3 WtCom= 9.62D-01 WtEn= 3.83D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.377 Goal=   None    Shift=    0.000
 GapD=    0.377 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.80D-03 MaxDP=1.19D-01              OVMax= 1.79D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.80D-03    CP:  9.98D-01
 E= -309.591445258452     Delta-E=       -0.006491067015 Rises=F Damp=F
 DIIS: error= 1.14D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -309.591445258452     IErMin= 2 ErrMin= 1.14D-03
 ErrMax= 1.14D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.25D-04 BMatP= 7.73D-03
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.14D-02
 Coeff-Com: -0.197D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.194D-01 0.102D+01
 Gap=     0.379 Goal=   None    Shift=    0.000
 RMSDP=5.66D-04 MaxDP=1.66D-02 DE=-6.49D-03 OVMax= 7.90D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.39D-04    CP:  9.99D-01  1.12D+00
 E= -309.591640814756     Delta-E=       -0.000195556304 Rises=F Damp=F
 DIIS: error= 1.05D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -309.591640814756     IErMin= 3 ErrMin= 1.05D-03
 ErrMax= 1.05D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.03D-04 BMatP= 2.25D-04
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.05D-02
 Coeff-Com: -0.479D-01 0.507D+00 0.541D+00
 Coeff-En:   0.000D+00 0.642D-01 0.936D+00
 Coeff:     -0.474D-01 0.502D+00 0.546D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=1.05D-04 MaxDP=3.64D-03 DE=-1.96D-04 OVMax= 3.89D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.79D-05    CP:  9.99D-01  1.13D+00  1.01D+00
 E= -309.591781019700     Delta-E=       -0.000140204944 Rises=F Damp=F
 DIIS: error= 2.71D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -309.591781019700     IErMin= 4 ErrMin= 2.71D-04
 ErrMax= 2.71D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-05 BMatP= 2.03D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.71D-03
 Coeff-Com: -0.188D-01 0.124D+00 0.235D+00 0.660D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.188D-01 0.123D+00 0.234D+00 0.661D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=3.78D-05 MaxDP=1.15D-03 DE=-1.40D-04 OVMax= 8.42D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.99D-05    CP:  9.98D-01  1.14D+00  1.06D+00  1.05D+00
 E= -309.591791241084     Delta-E=       -0.000010221384 Rises=F Damp=F
 DIIS: error= 6.73D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -309.591791241084     IErMin= 5 ErrMin= 6.73D-05
 ErrMax= 6.73D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-06 BMatP= 1.33D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.137D-02-0.412D-01-0.153D-01 0.249D+00 0.806D+00
 Coeff:      0.137D-02-0.412D-01-0.153D-01 0.249D+00 0.806D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=1.84D-05 MaxDP=5.21D-04 DE=-1.02D-05 OVMax= 3.71D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.17D-05    CP:  9.98D-01  1.14D+00  1.09D+00  1.12D+00  8.64D-01
 E= -309.591792785322     Delta-E=       -0.000001544238 Rises=F Damp=F
 DIIS: error= 1.08D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -309.591792785322     IErMin= 6 ErrMin= 1.08D-05
 ErrMax= 1.08D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.23D-08 BMatP= 1.40D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.929D-03-0.139D-01-0.959D-02 0.326D-01 0.191D+00 0.799D+00
 Coeff:      0.929D-03-0.139D-01-0.959D-02 0.326D-01 0.191D+00 0.799D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=3.40D-06 MaxDP=8.50D-05 DE=-1.54D-06 OVMax= 7.58D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.59D-06    CP:  9.98D-01  1.14D+00  1.09D+00  1.12D+00  9.07D-01
                    CP:  1.01D+00
 E= -309.591792823510     Delta-E=       -0.000000038188 Rises=F Damp=F
 DIIS: error= 2.44D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -309.591792823510     IErMin= 7 ErrMin= 2.44D-06
 ErrMax= 2.44D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.56D-09 BMatP= 3.23D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.151D-03-0.624D-03-0.560D-03-0.110D-01-0.855D-02 0.211D+00
 Coeff-Com:  0.810D+00
 Coeff:      0.151D-03-0.624D-03-0.560D-03-0.110D-01-0.855D-02 0.211D+00
 Coeff:      0.810D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=1.01D-06 MaxDP=2.88D-05 DE=-3.82D-08 OVMax= 2.58D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.16D-07    CP:  9.98D-01  1.14D+00  1.09D+00  1.12D+00  9.12D-01
                    CP:  1.07D+00  1.09D+00
 E= -309.591792828134     Delta-E=       -0.000000004625 Rises=F Damp=F
 DIIS: error= 7.38D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -309.591792828134     IErMin= 8 ErrMin= 7.38D-07
 ErrMax= 7.38D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.38D-10 BMatP= 3.56D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.690D-04 0.146D-02 0.122D-02-0.751D-02-0.252D-01-0.462D-01
 Coeff-Com:  0.194D+00 0.882D+00
 Coeff:     -0.690D-04 0.146D-02 0.122D-02-0.751D-02-0.252D-01-0.462D-01
 Coeff:      0.194D+00 0.882D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=4.14D-07 MaxDP=1.18D-05 DE=-4.62D-09 OVMax= 1.27D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.21D-07    CP:  9.98D-01  1.14D+00  1.09D+00  1.12D+00  9.13D-01
                    CP:  1.09D+00  1.16D+00  1.07D+00
 E= -309.591792828625     Delta-E=       -0.000000000491 Rises=F Damp=F
 DIIS: error= 1.32D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -309.591792828625     IErMin= 9 ErrMin= 1.32D-07
 ErrMax= 1.32D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.51D-12 BMatP= 3.38D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.178D-04 0.252D-03 0.235D-03-0.729D-03-0.303D-02-0.141D-01
 Coeff-Com: -0.794D-02 0.111D+00 0.914D+00
 Coeff:     -0.178D-04 0.252D-03 0.235D-03-0.729D-03-0.303D-02-0.141D-01
 Coeff:     -0.794D-02 0.111D+00 0.914D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=6.69D-08 MaxDP=1.35D-06 DE=-4.91D-10 OVMax= 2.12D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.98D-08    CP:  9.98D-01  1.14D+00  1.09D+00  1.12D+00  9.13D-01
                    CP:  1.09D+00  1.17D+00  1.12D+00  1.11D+00
 E= -309.591792828651     Delta-E=       -0.000000000026 Rises=F Damp=F
 DIIS: error= 5.44D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -309.591792828651     IErMin=10 ErrMin= 5.44D-08
 ErrMax= 5.44D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-12 BMatP= 8.51D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.432D-06-0.427D-04-0.290D-04 0.330D-03 0.104D-02-0.217D-03
 Coeff-Com: -0.165D-01-0.386D-01 0.241D+00 0.813D+00
 Coeff:      0.432D-06-0.427D-04-0.290D-04 0.330D-03 0.104D-02-0.217D-03
 Coeff:     -0.165D-01-0.386D-01 0.241D+00 0.813D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=1.91D-08 MaxDP=4.99D-07 DE=-2.59D-11 OVMax= 8.39D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.35D-08    CP:  9.98D-01  1.14D+00  1.09D+00  1.12D+00  9.13D-01
                    CP:  1.09D+00  1.17D+00  1.13D+00  1.15D+00  9.83D-01
 E= -309.591792828645     Delta-E=        0.000000000006 Rises=F Damp=F
 DIIS: error= 1.91D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -309.591792828651     IErMin=11 ErrMin= 1.91D-08
 ErrMax= 1.91D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-13 BMatP= 1.14D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.163D-05-0.317D-04-0.251D-04 0.143D-03 0.514D-03 0.129D-02
 Coeff-Com: -0.261D-02-0.184D-01-0.306D-01 0.193D+00 0.857D+00
 Coeff:      0.163D-05-0.317D-04-0.251D-04 0.143D-03 0.514D-03 0.129D-02
 Coeff:     -0.261D-02-0.184D-01-0.306D-01 0.193D+00 0.857D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=6.67D-09 MaxDP=1.45D-07 DE= 5.68D-12 OVMax= 4.23D-07

 SCF Done:  E(RwB97XD) =  -309.591792829     A.U. after   11 cycles
            NFock= 11  Conv=0.67D-08     -V/T= 2.0115
 KE= 3.060596955753D+02 PE=-1.330367944529D+03 EE= 4.086256371334D+02
 Leave Link  502 at Fri Jul 23 17:56:54 2021, MaxMem= 10737418240 cpu:             554.2 elap:              34.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   223
 NBasis=   223 NAE=    27 NBE=    27 NFC=     0 NFV=     0
 NROrb=    223 NOA=    27 NOB=    27 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.31576165D+02

 Leave Link  801 at Fri Jul 23 17:56:55 2021, MaxMem= 10737418240 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5137 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 8.82D-14 8.33D-09 XBig12= 1.00D+00 3.23D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 8.82D-14 8.33D-09 XBig12= 1.44D-01 1.45D-01.
     11 vectors produced by pass  2 Test12= 8.82D-14 8.33D-09 XBig12= 1.90D-02 4.32D-02.
     11 vectors produced by pass  3 Test12= 8.82D-14 8.33D-09 XBig12= 1.26D-03 9.02D-03.
     11 vectors produced by pass  4 Test12= 8.82D-14 8.33D-09 XBig12= 5.65D-05 1.91D-03.
     11 vectors produced by pass  5 Test12= 8.82D-14 8.33D-09 XBig12= 1.09D-06 2.57D-04.
     11 vectors produced by pass  6 Test12= 8.82D-14 8.33D-09 XBig12= 3.49D-08 4.37D-05.
     11 vectors produced by pass  7 Test12= 8.82D-14 8.33D-09 XBig12= 7.79D-10 4.31D-06.
     11 vectors produced by pass  8 Test12= 8.82D-14 8.33D-09 XBig12= 1.25D-11 5.18D-07.
      9 vectors produced by pass  9 Test12= 8.82D-14 8.33D-09 XBig12= 1.69D-13 5.65D-08.
      1 vectors produced by pass 10 Test12= 8.82D-14 8.33D-09 XBig12= 3.45D-15 9.04D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   109 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.855743D+02
      2  0.204429D+00  0.740811D+02
      3  0.286714D+00 -0.441347D+00  0.606646D+02
 Isotropic polarizability for W=    0.093368       73.44 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1   0.316806D+02 -0.203789D+02 -0.497804D+00
      2  -0.167554D+02  0.189058D+02 -0.455897D+01
      3  -0.149252D+02  0.147312D+01  0.505677D+01
      4  -0.104877D+02  0.262429D+02  0.164388D+01
      5   0.362212D+01 -0.367644D-01  0.438865D+02
      6  -0.131722D+01 -0.351995D+01  0.928069D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.176554D+01 -0.726798D+00 -0.392693D+01
      2   0.619042D+00  0.262446D+00  0.199575D+02
      3   0.664386D+01 -0.137678D+02 -0.587047D+00
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.168065D+01  0.103902D+01 -0.780757D+01
      2  -0.411992D+01  0.296110D+01  0.588117D+02
      3   0.989120D+01 -0.429983D+02 -0.128045D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.582462D+00 -0.358174D+00 -0.418779D+00
      2  -0.358174D+00 -0.436019D+00  0.429225D+00
      3  -0.418779D+00  0.429225D+00 -0.107166D+01
 OR G Eigenvalues:    -1.3686    -0.8708     0.1492  Iso=     0.6967
 Eigenvectors:
   (1)   0.350271  -0.277245   0.894676
   (2)   0.731287   0.677792  -0.076267
   (3)  -0.585260   0.680980   0.440156
 w=    0.093368 a.u., Optical Rotation Beta=      0.6967 au.
 Molar Mass =     98.1444 grams/mole, [Alpha] ( 4880.0 A) =      400.13 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   24976 ScalPx= 2.37D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.81D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.47D-14 2.78D-09 XBig12= 1.00D+00 4.51D-01.
     30 vectors produced by pass  1 Test12= 1.47D-14 2.78D-09 XBig12= 4.00D-02 4.78D-02.
     30 vectors produced by pass  2 Test12= 1.47D-14 2.78D-09 XBig12= 1.51D-03 7.92D-03.
     30 vectors produced by pass  3 Test12= 1.47D-14 2.78D-09 XBig12= 1.43D-05 9.08D-04.
     30 vectors produced by pass  4 Test12= 1.47D-14 2.78D-09 XBig12= 1.51D-07 5.57D-05.
     30 vectors produced by pass  5 Test12= 1.47D-14 2.78D-09 XBig12= 1.51D-09 5.31D-06.
     30 vectors produced by pass  6 Test12= 1.47D-14 2.78D-09 XBig12= 1.06D-11 3.59D-07.
     30 vectors produced by pass  7 Test12= 1.47D-14 2.78D-09 XBig12= 6.75D-14 3.11D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 7.93D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 7.93D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.92D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.855743D+02  0.204429D+00  0.286714D+00
      2   0.204429D+00  0.740811D+02 -0.441347D+00
      3   0.286714D+00 -0.441347D+00  0.606646D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.176554D+01 -0.726798D+00 -0.392693D+01
      2   0.619042D+00  0.262446D+00  0.199575D+02
      3   0.664386D+01 -0.137678D+02 -0.587047D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.316806D+02 -0.203789D+02 -0.497804D+00
      2  -0.167554D+02  0.189058D+02 -0.455897D+01
      3  -0.149252D+02  0.147312D+01  0.505677D+01
      4  -0.104877D+02  0.262429D+02  0.164388D+01
      5   0.362212D+01 -0.367644D-01  0.438865D+02
      6  -0.131722D+01 -0.351995D+01  0.928069D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.259464D+01 -0.924565D+00  0.980010D+00 -0.110349D+00 -0.418815D+01
      2  -0.924565D+00 -0.350197D+01  0.755345D-01 -0.418815D+01 -0.470893D+00
      3   0.980010D+00  0.755345D-01 -0.170192D+01  0.191602D+00  0.229526D+01
                 6             7             8             9            10 
      1   0.191602D+00  0.149822D+01  0.429031D+00 -0.208968D+01 -0.923584D+00
      2   0.229526D+01  0.429031D+00  0.315501D+01 -0.921044D+00  0.229791D+01
      3  -0.545896D+00 -0.208968D+01 -0.921044D+00 -0.630665D+01 -0.116034D+01
                11            12            13            14            15 
      1   0.229791D+01 -0.116034D+01  0.199799D+01  0.294238D+01  0.286210D+00
      2   0.338194D+01  0.250654D+00  0.294238D+01 -0.283541D+01 -0.146468D+01
      3   0.250654D+00  0.790879D-01  0.286210D+00 -0.146468D+01 -0.875520D+00
                16            17            18            19            20 
      1  -0.205568D+01  0.351946D+00  0.641603D+00 -0.161282D+01 -0.166442D+01
      2   0.351946D+00 -0.169886D+01 -0.926540D+00 -0.166442D+01  0.439533D+01
      3   0.641603D+00 -0.926540D+00  0.916707D+01 -0.109417D+01  0.537940D+00
                21            22            23            24            25 
      1  -0.109417D+01 -0.175958D+01  0.229628D+01  0.709553D+00 -0.118344D+01
      2   0.537940D+00  0.229628D+01  0.135165D+01 -0.696146D+00  0.156859D+01
      3   0.221385D+01  0.709553D+00 -0.696146D+00 -0.217926D+01  0.243887D+01
                26            27            28            29            30 
      1   0.156859D+01  0.243887D+01  0.540240D+01  0.478425D+01  0.378010D-01
      2  -0.623743D-01 -0.325740D+01  0.478425D+01 -0.266461D+01 -0.273097D+00
      3  -0.325740D+01  0.337824D+01  0.378010D-01 -0.273097D+00 -0.171574D-01
                31            32            33            34            35 
      1   0.348284D+01  0.209490D+00 -0.555799D+00  0.640758D+00 -0.860629D+00
      2   0.209490D+00 -0.263082D+01 -0.274531D+00 -0.860629D+00 -0.413560D+00
      3  -0.555799D+00 -0.274531D+00  0.122558D+00 -0.747594D-01  0.926320D-01
                36            37            38            39            40 
      1  -0.747594D-01  0.105500D+00 -0.332246D+01  0.108196D+00 -0.203787D+01
      2   0.926320D-01 -0.332246D+01  0.104531D+01  0.566516D+00 -0.572731D+00
      3  -0.794753D-02  0.108196D+00  0.566516D+00 -0.305245D+00  0.456261D+00
                41            42            43            44            45 
      1  -0.572731D+00  0.456261D+00 -0.111679D+01  0.130425D+01 -0.911610D+00
      2   0.505227D+01  0.161704D+01  0.130425D+01  0.230077D+01  0.334906D+01
      3   0.161704D+01  0.278051D+01 -0.911610D+00  0.334906D+01 -0.412276D+01
                46            47            48            49            50 
      1  -0.775954D+00  0.110481D+01 -0.127488D+01  0.817414D+00 -0.838763D+00
      2   0.110481D+01 -0.151270D+01  0.606754D+00 -0.838763D+00  0.208087D+01
      3  -0.127488D+01  0.606754D+00 -0.123243D+01  0.352680D+00 -0.156645D+01
                51            52            53            54            55 
      1   0.352680D+00 -0.224047D+01  0.607543D+00 -0.191921D+01 -0.368519D+01
      2  -0.156645D+01  0.607543D+00 -0.311276D+01  0.307995D+01  0.247138D+01
      3   0.176542D+01 -0.191921D+01  0.307995D+01 -0.617960D+01  0.164680D+01
                56            57            58            59            60 
      1   0.247138D+01  0.164680D+01  0.204511D+01 -0.209867D+01 -0.763385D+00
      2  -0.322939D+01 -0.102975D+01 -0.209867D+01  0.394845D+01  0.161236D+01
      3  -0.102975D+01 -0.146417D+01 -0.763385D+00  0.161236D+01  0.153735D+01
                61            62            63            64            65 
      1   0.266495D+01 -0.166936D+01 -0.181697D+01 -0.153940D+02 -0.437087D+01
      2  -0.166936D+01  0.267400D+01  0.237941D+01 -0.437087D+01 -0.193561D+01
      3  -0.181697D+01  0.237941D+01  0.214435D+01  0.358858D+00  0.504589D-01
                66            67            68            69            70 
      1   0.358858D+00 -0.359050D+01 -0.418870D+01  0.126077D+00  0.407666D-01
      2   0.504589D-01 -0.418870D+01 -0.289597D+01  0.135128D+00  0.250943D+00
      3  -0.196302D+01  0.126077D+00  0.135128D+00 -0.812040D+00 -0.359261D+01
                71            72            73            74            75 
      1   0.250943D+00 -0.359261D+01 -0.303339D+00 -0.822638D+00 -0.683874D+00
      2   0.191677D+00 -0.137143D+01 -0.822638D+00 -0.887983D+00 -0.282288D+00
      3  -0.137143D+01  0.316207D+00 -0.683874D+00 -0.282288D+00 -0.680188D-01
                76            77            78            79            80 
      1  -0.143146D+01 -0.461648D-01 -0.538688D-01 -0.889597D+00 -0.285277D+00
      2  -0.461648D-01 -0.755539D+01 -0.233780D+01 -0.285277D+00 -0.378973D+01
      3  -0.538688D-01 -0.233780D+01 -0.194678D+01  0.185744D+00 -0.253000D+01
                81            82            83            84            85 
      1   0.185744D+00  0.103504D+01 -0.975200D-01  0.103796D+01 -0.200203D+00
      2  -0.253000D+01 -0.975200D-01  0.173129D+00 -0.295580D+00  0.580060D+00
      3  -0.176362D+01  0.103796D+01 -0.295580D+00  0.791068D+00 -0.293612D+00
                86            87            88            89            90 
      1   0.580060D+00 -0.293612D+00  0.266362D+01 -0.570843D+00  0.857129D+00
      2  -0.242397D+01  0.147461D+01 -0.570843D+00  0.260391D+01 -0.296216D+01
      3   0.147461D+01 -0.161987D+01  0.857129D+00 -0.296216D+01  0.609921D+01
                91            92            93            94            95 
      1   0.247641D+01  0.240605D+01 -0.819035D+00  0.221589D+01  0.278650D+01
      2   0.240605D+01  0.325400D+01 -0.509993D+00  0.278650D+01  0.664847D+01
      3  -0.819035D+00 -0.509993D+00  0.877374D+00 -0.493730D+00 -0.150825D+01
                96            97            98            99           100 
      1  -0.493730D+00 -0.153990D+01 -0.975982D+00  0.107648D+01  0.477283D+00
      2  -0.150825D+01 -0.975982D+00 -0.271864D+01  0.157212D+01  0.300552D+00
      3   0.121854D+01  0.107648D+01  0.157212D+01 -0.601475D+00  0.119567D+01
               101           102           103           104           105 
      1   0.300552D+00  0.119567D+01  0.635101D-01  0.809379D+00  0.934751D-01
      2   0.705704D+00  0.377635D+00  0.809379D+00  0.660837D+00  0.829474D+00
      3   0.377635D+00  0.120678D+01  0.934751D-01  0.829474D+00  0.246031D+00
               106           107           108           109           110 
      1   0.214524D+01  0.111541D+00  0.162897D+01  0.829963D+00 -0.300531D+01
      2   0.111541D+00  0.158122D+01  0.183812D+01 -0.300531D+01 -0.353692D+01
      3   0.162897D+01  0.183812D+01  0.752138D+01  0.210570D+01 -0.140983D+00
               111           112           113           114           115 
      1   0.210570D+01 -0.310615D+01 -0.454108D+01 -0.132615D+00  0.267497D+01
      2  -0.140983D+00 -0.454108D+01  0.299351D+01  0.269010D+01 -0.337585D+00
      3  -0.565987D+00 -0.132615D+00  0.269010D+01  0.997049D+00 -0.130862D+01
               116           117           118           119           120 
      1  -0.337585D+00 -0.130862D+01  0.764474D+00 -0.294837D+00 -0.118451D+01
      2   0.269078D+01  0.112486D+01 -0.294837D+00 -0.247812D+00 -0.177363D-01
      3   0.112486D+01 -0.669413D+01 -0.118451D+01 -0.177363D-01  0.285345D+00
               121           122           123           124           125 
      1  -0.387035D+00 -0.282486D+00 -0.699284D-02 -0.175715D+01 -0.193399D-01
      2  -0.282486D+00  0.500698D+00 -0.900269D+00 -0.193399D-01 -0.127093D+01
      3  -0.699284D-02 -0.900269D+00  0.519817D+00  0.682320D+00  0.245948D+00
               126           127           128           129           130 
      1   0.682320D+00  0.490473D-01  0.198189D+00  0.749551D+00  0.164974D+00
      2   0.245948D+00  0.198189D+00  0.227518D+00 -0.153975D-01  0.753820D+00
      3  -0.949951D+01  0.749551D+00 -0.153975D-01  0.195551D+00 -0.991134D-01
               131           132           133           134           135 
      1   0.753820D+00 -0.991134D-01  0.255329D+01 -0.394632D+00  0.187860D+01
      2  -0.651376D+00  0.684763D+00 -0.394632D+00  0.122461D+01 -0.852738D+00
      3   0.684763D+00 -0.534251D+00  0.187860D+01 -0.852738D+00  0.767486D+01
               136           137           138           139           140 
      1   0.665889D+01  0.256924D+01 -0.113059D+01  0.499202D+01  0.287823D+01
      2   0.256924D+01  0.224461D+01 -0.421010D+00  0.287823D+01  0.272697D+01
      3  -0.113059D+01 -0.421010D+00  0.108989D+01 -0.526523D+00 -0.859345D+00
               141           142           143           144           145 
      1  -0.526523D+00 -0.217378D+01 -0.513651D+00  0.130491D+01  0.230120D+01
      2  -0.859345D+00 -0.513651D+00 -0.114336D+01  0.577370D+00 -0.162977D+01
      3   0.973119D+00  0.130491D+01  0.577370D+00 -0.361593D+00 -0.873149D+00
               146           147           148           149           150 
      1  -0.162977D+01 -0.873149D+00 -0.315660D+01  0.350060D+01  0.709781D+00
      2   0.208945D+01  0.520345D+00  0.350060D+01 -0.649990D+01 -0.173126D+01
      3   0.520345D+00  0.579012D+00  0.709781D+00 -0.173126D+01 -0.164677D+01
               151           152           153 
      1  -0.192501D+01  0.100346D+01  0.101884D+01
      2   0.100346D+01 -0.221176D+01 -0.143816D+01
      3   0.101884D+01 -0.143816D+01 -0.764037D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.197774D+01 -0.108540D+01  0.191866D+01 -0.106726D+00 -0.565811D+01
      2   0.120784D+01  0.219911D+01  0.610614D+00  0.243129D+01  0.307242D+01
      3   0.986379D+01 -0.511528D+00  0.134497D+01  0.668110D+01 -0.527048D+01
                 6             7             8             9            10 
      1  -0.858863D+00  0.155783D+01  0.571757D+01  0.771975D+01  0.421767D+00
      2  -0.888988D+00 -0.580952D+01 -0.253264D+01 -0.368799D+01 -0.395417D+01
      3  -0.147625D+01  0.121841D+01 -0.254546D+01 -0.238066D+01 -0.541907D+01
                11            12            13            14            15 
      1  -0.558333D+00 -0.115967D+00 -0.194212D+01  0.789087D+00 -0.185129D+01
      2   0.129218D+01  0.231706D+01  0.568583D+00 -0.116714D+01 -0.765014D+00
      3  -0.883959D+01 -0.233519D+00 -0.194685D+01  0.344570D+01  0.273324D+01
                16            17            18            19            20 
      1   0.536130D+00  0.446525D+01  0.825455D+00  0.418714D+01 -0.218874D+01
      2  -0.562501D+01  0.603082D+00  0.969037D+01  0.227851D+01 -0.186546D+01
      3  -0.121896D+01  0.273694D+01  0.138473D+01 -0.104001D+02  0.283622D+01
                21            22            23            24            25 
      1  -0.444693D+01 -0.209506D+01  0.247566D+01 -0.173877D+01 -0.138572D+01
      2  -0.168088D+01 -0.226193D+01  0.152670D+01  0.392526D+01 -0.635424D+01
      3  -0.174632D+01  0.693243D+01  0.379957D+01  0.947655D+00 -0.160205D+01
                26            27            28            29            30 
      1   0.970397D+01 -0.491646D+01 -0.519295D+01 -0.153944D+00  0.182676D+01
      2   0.593024D+01 -0.427865D+01 -0.202794D+01 -0.135998D+01 -0.907558D+01
      3   0.242179D+01 -0.876500D+00  0.344113D+01 -0.224811D+01  0.263231D+00
                31            32            33            34            35 
      1  -0.179535D+01 -0.429057D+00  0.509974D+01 -0.427878D+01  0.212841D+02
      2  -0.515838D+00 -0.587398D+00 -0.189286D+01 -0.144748D+02  0.363203D+01
      3   0.300112D+01 -0.503304D+00 -0.267660D+00 -0.183946D+00 -0.829720D+00
                36            37            38            39            40 
      1  -0.611533D+00  0.103183D+01  0.188075D+01  0.133988D+01  0.217821D+01
      2   0.506524D+00  0.838206D-02  0.688039D-01  0.414105D+01 -0.504116D+00
      3  -0.212536D+00 -0.267735D+01  0.205341D+01 -0.144179D+00  0.823161D+01
                41            42            43            44            45 
      1   0.659896D+01  0.128663D+01 -0.437693D+01  0.726575D+01 -0.575587D+01
      2   0.289274D+00 -0.215384D+01 -0.442263D+01 -0.874072D+00 -0.623838D-01
      3   0.527889D+01 -0.180692D+01  0.148028D+01 -0.304944D+01  0.206896D+01
                46            47            48            49            50 
      1   0.112727D+01 -0.234752D+01  0.275428D+01 -0.199163D+01  0.480244D+00
      2   0.154334D+01 -0.782708D+00  0.273653D+01 -0.430841D+00  0.167349D+01
      3   0.949848D+00 -0.121607D+01 -0.968971D+00  0.174598D+01  0.592506D+00
                51            52            53            54            55 
      1  -0.314608D+01  0.297463D+01 -0.472198D+01  0.102680D+02 -0.236556D+01
      2  -0.227117D+01  0.337140D+00 -0.486317D+01  0.837822D+01 -0.188310D+01
      3  -0.987467D+00 -0.313553D+01 -0.312542D+01  0.644762D+00 -0.272148D+01
                56            57            58            59            60 
      1   0.422272D+01  0.329846D+01  0.263999D+01 -0.288557D+01 -0.385346D+01
      2   0.247454D+01  0.353258D+01  0.114463D+01 -0.296770D+01 -0.279635D+01
      3  -0.243986D+01  0.107130D+01  0.273105D+01  0.120564D+01  0.373982D+00
                61            62            63            64            65 
      1   0.349652D+01 -0.368627D+01 -0.444818D+01  0.265704D+01 -0.368143D+00
      2   0.132484D+01 -0.382449D+01 -0.360826D+01  0.561490D+00  0.451539D-01
      3   0.295470D+01  0.173529D+01  0.460495D-01  0.244367D+01 -0.138999D+02
                66            67            68            69            70 
      1  -0.330847D+01  0.543244D+00  0.625330D+00 -0.399610D+01  0.172140D+01
      2   0.135802D+02  0.715915D+00  0.340307D+00  0.435891D+01  0.468528D+01
      3   0.305552D+00 -0.203199D+01 -0.752411D+01  0.359061D+00  0.103877D+01
                71            72            73            74            75 
      1  -0.463589D+01  0.590650D+00  0.785414D+00 -0.836173D+00 -0.395284D+00
      2  -0.421978D+00 -0.621717D+00  0.108017D+01 -0.430109D+00  0.529027D+00
      3   0.108067D+01 -0.826217D+00  0.588659D+00 -0.125616D+01  0.519641D+00
                76            77            78            79            80 
      1   0.135666D+01 -0.537388D+01 -0.537912D+01  0.576613D+00 -0.373791D+01
      2  -0.992656D-01 -0.628526D+00  0.241753D+00 -0.156748D+01 -0.144572D+00
      3   0.434272D+01 -0.302846D+00  0.103413D+00  0.249743D+01  0.259583D+00
                81            82            83            84            85 
      1  -0.380274D+01 -0.422592D+00  0.146544D+00  0.440706D+00  0.152778D-01
      2   0.579086D-01 -0.225583D+01  0.171382D+00  0.571781D+00  0.219544D+00
      3  -0.369587D+00 -0.173769D+01 -0.158867D+01 -0.710070D+00  0.114548D+01
                86            87            88            89            90 
      1   0.200861D+01 -0.381254D+01  0.343517D+01 -0.401899D+01  0.102203D+02
      2  -0.666255D-01  0.273811D+00 -0.197488D+01 -0.387453D+00 -0.386059D+00
      3  -0.903453D+00  0.563172D+00 -0.417247D+01  0.104163D+01 -0.154219D+01
                91            92            93            94            95 
      1   0.128374D+01  0.904453D+00 -0.219362D+01  0.112671D+01  0.258318D+01
      2  -0.919974D+00 -0.108407D+01  0.183583D+01 -0.859312D+00 -0.219852D+01
      3   0.301012D+01 -0.344769D+00 -0.978255D+00  0.441366D+01 -0.101586D+01
                96            97            98            99           100 
      1  -0.397057D+01 -0.160673D+01 -0.127404D+01  0.159799D+01 -0.139839D+01
      2   0.196256D+01  0.900437D-01  0.175371D+01 -0.117825D+01 -0.302654D-01
      3   0.216978D+00 -0.269229D+01  0.131766D+01  0.639429D+00  0.276355D+00
               101           102           103           104           105 
      1   0.715963D+00 -0.182391D+01  0.301158D-01 -0.930490D+00 -0.144275D+01
      2  -0.102551D-01  0.147566D+01 -0.168535D-01 -0.131728D+00  0.925730D-01
      3  -0.154386D+01  0.154063D+01  0.205600D+00  0.103020D+01 -0.334940D+00
               106           107           108           109           110 
      1  -0.250823D+01  0.680302D+00 -0.109792D+02 -0.762341D-01 -0.107803D+01
      2  -0.253328D+01  0.127616D+01  0.461520D+01  0.852088D+01 -0.420910D+00
      3   0.363040D+01 -0.151475D+01  0.147984D+01  0.890603D+01  0.102261D+02
               111           112           113           114           115 
      1  -0.255240D+00 -0.139990D+01  0.224395D+01 -0.512046D+00 -0.177667D+01
      2  -0.559013D+00 -0.375975D+00  0.813239D+01  0.254459D+01 -0.747303D+01
      3  -0.808182D+00  0.193663D+02 -0.685786D+01 -0.770282D+01 -0.272607D+00
               116           117           118           119           120 
      1   0.286524D+01 -0.323106D+01  0.925705D-01  0.366300D+00  0.238123D+00
      2   0.342881D+01 -0.172978D+02 -0.619527D+00 -0.402138D+00  0.100983D+01
      3  -0.793000D+01 -0.246194D+01  0.917018D+00 -0.384115D+00  0.173999D+00
               121           122           123           124           125 
      1   0.596080D+00 -0.671319D+00 -0.294060D+00 -0.162538D+00  0.340836D+01
      2   0.196751D+00 -0.130721D+01  0.401231D+00 -0.355721D+01  0.413708D+00
      3   0.217846D+01 -0.953169D+00  0.140010D+01 -0.962317D-01  0.179960D+01
               126           127           128           129           130 
      1  -0.902776D+00  0.556938D+00 -0.464877D-01  0.292106D+00  0.414625D-01
      2  -0.101136D+02  0.218802D+01 -0.222433D+00  0.190455D+01 -0.148831D+00
      3  -0.400719D+00 -0.419450D+00 -0.145230D+01 -0.264782D+00 -0.898781D+00
               131           132           133           134           135 
      1   0.205646D-01 -0.100750D+01  0.784617D+00  0.278296D+01  0.407781D+01
      2   0.146821D+01 -0.165069D+01  0.950625D+00 -0.208707D+01  0.211962D+02
      3   0.122565D+01 -0.149640D+01 -0.538493D+00 -0.355551D+01  0.152205D+01
               136           137           138           139           140 
      1   0.502640D-01 -0.676362D-01 -0.543383D+00 -0.127984D-01 -0.400491D+00
      2  -0.323077D+01 -0.147955D+01  0.486211D+01 -0.151354D+01 -0.262733D+01
      3  -0.997964D+01 -0.100316D+02  0.184999D+01 -0.813226D+01 -0.102576D+02
               141           142           143           144           145 
      1  -0.122905D+01  0.419795D+00  0.107913D+01  0.169476D+00 -0.760510D+00
      2   0.413821D+01  0.240466D+01  0.168852D+01 -0.119327D+01 -0.232467D+01
      3   0.285679D+01  0.200239D+01  0.401551D+01 -0.197310D+01  0.285584D+01
               146           147           148           149           150 
      1   0.493673D+00  0.973824D+00  0.673411D+00 -0.125635D+01 -0.362789D+01
      2   0.158612D+01  0.254241D+01  0.144980D+01 -0.482062D+01 -0.551999D+01
      3  -0.640482D+01 -0.994651D+00 -0.517474D+01  0.171126D+02  0.466045D+01
               151           152           153 
      1   0.695207D+00 -0.131953D+00 -0.104206D+01
      2   0.120863D+01 -0.369290D+01 -0.215890D+01
      3  -0.909792D+00  0.614162D+01  0.325763D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.222789D+01  0.688823D+01  0.215775D+01  0.398741D+01 -0.397739D+01
      2  -0.195750D+01 -0.133283D+02  0.172847D+01 -0.110958D+02 -0.432175D+01
      3  -0.270393D+00  0.644004D+01 -0.388623D+01  0.710834D+01  0.829914D+01
      4   0.154222D+01 -0.993112D+01  0.189771D+01 -0.985132D+01 -0.106173D+02
      5   0.273004D+01  0.315810D+01 -0.262159D+01  0.275400D+01  0.416076D+01
      6   0.360710D+01  0.191155D+01 -0.508670D+01  0.278028D+01  0.110332D+02
                 6             7             8             9            10 
      1  -0.324886D+01  0.264550D+01 -0.302792D+01  0.580789D+01 -0.110955D+02
      2   0.824465D+01  0.329537D+01  0.107332D+02  0.245554D+01  0.330061D+01
      3  -0.499578D+01 -0.594088D+01 -0.770525D+01 -0.826343D+01  0.779491D+01
      4   0.439543D+01  0.217854D+01  0.743668D+01 -0.918988D+01  0.562687D+01
      5  -0.217262D+01 -0.315904D+01 -0.454805D+01 -0.100363D+02 -0.677360D+01
      6  -0.142138D+01 -0.658494D+01 -0.384916D+01 -0.147230D+02 -0.252225D+00
                11            12            13            14            15 
      1   0.541978D+01 -0.380125D+01  0.829955D+01  0.108217D+02  0.158132D+01
      2  -0.634746D+00  0.212484D+01 -0.309215D+01 -0.589231D+01 -0.220513D+01
      3  -0.478503D+01  0.167641D+01 -0.520740D+01 -0.492935D+01  0.623814D+00
      4   0.160695D+01  0.128691D+01  0.699731D+01 -0.469494D+01 -0.194918D+01
      5   0.170859D+01 -0.112595D+01  0.981018D+00 -0.239314D+01 -0.148807D+01
      6  -0.124638D+00  0.693689D+00 -0.123689D+01 -0.656951D+00  0.113725D+01
                16            17            18            19            20 
      1  -0.857369D+01  0.235904D+01  0.868770D+01  0.898624D+00 -0.497538D+01
      2   0.270157D+01 -0.299878D+01  0.924523D+01 -0.217591D+01  0.888479D+01
      3   0.587213D+01  0.639744D+00 -0.179329D+02  0.127728D+01 -0.390941D+01
      4   0.973300D+00 -0.259094D+01 -0.128872D+01  0.298099D+01 -0.131848D+02
      5   0.278488D+01 -0.129910D+01  0.220005D+02  0.319589D+01 -0.480270D+01
      6  -0.271120D+00  0.377137D+01 -0.460349D+00 -0.481549D+01  0.338161D+01
                21            22            23            24            25 
      1   0.208714D+01  0.385181D+01 -0.528555D+01 -0.125681D+01  0.393837D+00
      2   0.210172D+01  0.456378D+00  0.104881D+02 -0.261845D+01  0.301571D+01
      3  -0.418887D+01 -0.430819D+01 -0.520254D+01  0.387526D+01 -0.340955D+01
      4  -0.370260D+01 -0.236588D+01  0.857088D+01  0.179964D+01 -0.617216D+01
      5  -0.652945D+01 -0.446751D+01  0.229625D+01  0.767364D+01 -0.703459D+01
      6   0.815673D+01  0.383714D+01 -0.405968D+01 -0.513017D+01  0.872212D+01
                26            27            28            29            30 
      1  -0.529703D+01  0.745475D+01 -0.437638D+02 -0.802254D+01 -0.217353D+00
      2  -0.278053D+01 -0.416756D+01  0.235646D+02 -0.282980D-01 -0.188093D+00
      3   0.807756D+01 -0.328719D+01  0.201991D+02  0.805084D+01  0.405446D+00
      4  -0.343198D+00  0.166647D+02 -0.238207D+02 -0.157974D+02  0.108034D+01
      5   0.120100D+02 -0.672762D+01  0.196213D+01  0.124233D+01 -0.125486D+02
      6  -0.149310D+02  0.115760D+02 -0.136013D+01 -0.511153D+00 -0.387355D+01
                31            32            33            34            35 
      1  -0.186192D+02 -0.747933D+00  0.176575D+00  0.672159D+00  0.595232D+00
      2   0.119234D+02 -0.438254D+01 -0.674575D+00 -0.875048D+00  0.749450D+00
      3   0.669578D+01  0.513047D+01  0.498001D+00  0.202889D+00 -0.134468D+01
      4  -0.673165D+01 -0.136363D+01  0.228500D+00  0.189154D+01  0.101196D+01
      5   0.205932D+01 -0.252633D-01 -0.357919D+01  0.297646D+01 -0.104494D+01
      6  -0.133976D+01  0.164081D+01 -0.343815D+01 -0.880176D+00  0.431468D+01
                36            37            38            39            40 
      1  -0.957507D+01  0.186592D+01 -0.733289D+00  0.266198D+01 -0.105998D+02
      2  -0.158136D+01  0.281212D+01 -0.210952D+01 -0.230204D+01  0.554263D+01
      3   0.111564D+02 -0.467804D+01  0.284281D+01 -0.359933D+00  0.505717D+01
      4  -0.348185D+01 -0.996502D-01  0.539844D+01 -0.346289D+00 -0.857736D+00
      5   0.168243D+01  0.375487D+00 -0.703223D+00  0.230991D+01 -0.287477D+00
      6  -0.565319D+00  0.170630D+01 -0.263164D+01  0.318804D+00 -0.150498D+01
                41            42            43            44            45 
      1   0.866783D+01  0.115412D+01  0.942905D+01 -0.820874D+00  0.138870D+02
      2  -0.102317D+02 -0.582378D+01 -0.497708D+01 -0.561860D+01 -0.869812D+01
      3   0.156382D+01  0.466966D+01 -0.445197D+01  0.643948D+01 -0.518886D+01
      4  -0.461356D+01 -0.137657D+01  0.214668D+01 -0.211129D+01  0.319551D+01
      5  -0.135696D+01 -0.150426D+01 -0.226908D+01  0.118250D+01 -0.387318D+01
      6  -0.108794D+02 -0.860471D+01  0.527626D+01 -0.145757D+02  0.104259D+02
                46            47            48            49            50 
      1   0.697471D+00  0.399193D+00  0.132846D+01  0.766954D+00 -0.689899D+01
      2  -0.922926D+00 -0.177732D+01 -0.182281D+01 -0.210961D+01  0.730390D+01
      3   0.225456D+00  0.137812D+01  0.494347D+00  0.134266D+01 -0.404915D+00
      4  -0.586991D+01  0.895575D+01 -0.524220D+01  0.516862D+01 -0.795185D+01
      5   0.556546D+01 -0.303372D+01  0.783465D+01 -0.109035D+01  0.404219D+01
      6  -0.461500D+01  0.296753D+01 -0.445088D+01  0.286452D+01 -0.778924D+01
                51            52            53            54            55 
      1   0.504539D+01  0.228372D+01  0.933815D+01 -0.121536D+02  0.761049D+01
      2  -0.428047D+01 -0.316625D+01 -0.579957D+01 -0.191904D+01  0.243517D+00
      3  -0.764919D+00  0.882539D+00 -0.353857D+01  0.140726D+02 -0.785401D+01
      4   0.508112D+01 -0.727851D+01  0.101047D+02 -0.126227D+02 -0.164794D+02
      5  -0.418683D+01  0.889352D+01 -0.915789D+01  0.168203D+02 -0.842156D+01
      6   0.991368D+01 -0.691215D+01  0.160540D+02 -0.224673D+02  0.667058D+01
                56            57            58            59            60 
      1  -0.216235D+00 -0.216774D+01  0.556080D+00 -0.710216D+01 -0.239789D+01
      2  -0.622523D+01 -0.739779D-01 -0.594710D+01  0.146596D+02  0.500045D+01
      3   0.644146D+01  0.224172D+01  0.539102D+01 -0.755740D+01 -0.260257D+01
      4   0.184682D+02  0.743844D+01  0.127250D+02 -0.172035D+02 -0.667114D+01
      5   0.562522D+01  0.774494D+01  0.410821D+01 -0.643077D+01 -0.535938D+01
      6  -0.598774D+01 -0.607601D+01 -0.491056D+01  0.923814D+01  0.849888D+01
                61            62            63            64            65 
      1  -0.274018D+01 -0.357083D+01 -0.417400D+01  0.874710D+02  0.161507D+02
      2   0.115202D+00  0.711370D+01  0.206830D+01 -0.475052D+02 -0.437189D+01
      3   0.262498D+01 -0.354287D+01  0.210569D+01 -0.399658D+02 -0.117788D+02
      4   0.107024D+02 -0.110804D+02 -0.106573D+02  0.366729D+02  0.280853D+02
      5   0.879042D+01 -0.870450D+01 -0.887408D+01 -0.318352D+01 -0.107370D+01
      6  -0.741957D+01  0.124124D+02  0.962671D+01  0.153240D+01  0.421606D+00
                66            67            68            69            70 
      1  -0.131503D+01  0.178318D+02  0.102254D+02  0.555422D-01 -0.188173D+01
      2   0.130997D+01 -0.615440D+01  0.133049D+01 -0.787032D-01  0.199358D+01
      3   0.506571D-02 -0.116774D+02 -0.115559D+02  0.231611D-01 -0.111846D+00
      4  -0.551015D+00  0.287291D+02  0.201988D+02 -0.332586D+00 -0.671909D+00
      5   0.229545D+02 -0.113827D+01 -0.668842D+00  0.712099D+01  0.242238D+02
      6   0.568068D+01  0.551515D+00 -0.718310D+00  0.674075D+01  0.546516D+01
                71            72            73            74            75 
      1   0.579369D-01  0.118829D+02  0.254484D+00 -0.164816D+01 -0.699886D+00
      2  -0.157464D+00 -0.103797D+02  0.143003D+01  0.278966D+01  0.621890D+00
      3   0.995266D-01 -0.150326D+01 -0.168452D+01 -0.114150D+01  0.779962D-01
      4  -0.336648D+00  0.861833D+01  0.151153D+01  0.790625D+01  0.254596D+01
      5   0.712839D+01 -0.238443D+01  0.676545D+00  0.163379D+01  0.231375D+01
      6   0.723684D+01 -0.693701D-01  0.261444D+01  0.128080D+01  0.517007D+00
                76            77            78            79            80 
      1   0.208687D+01 -0.233163D+02 -0.736982D+01 -0.112334D+01 -0.101417D+02
      2  -0.976069D+00  0.333952D+02  0.922710D+01  0.671897D+00  0.118779D+02
      3  -0.111080D+01 -0.100789D+02 -0.185728D+01  0.451448D+00 -0.173627D+01
      4   0.578380D+01  0.167953D+01  0.817525D+00  0.353447D+01  0.117985D+01
      5   0.132113D+01  0.121288D+01  0.679899D+00  0.217428D+01  0.748425D+00
      6   0.101143D+00  0.153127D+02  0.111218D+02 -0.881276D+00  0.140886D+02
                81            82            83            84            85 
      1  -0.964748D+01 -0.276058D+00  0.122916D-01 -0.947014D+00  0.241442D+01
      2   0.640267D+01 -0.141706D+01 -0.315343D+00  0.255256D+00 -0.235030D+01
      3   0.324481D+01  0.169312D+01  0.303051D+00  0.691758D+00 -0.641104D-01
      4   0.766180D-01 -0.268825D+01  0.317439D+01 -0.345407D+01  0.228086D+01
      5   0.110559D+01  0.761341D+00 -0.200254D+01  0.441733D+01 -0.763167D+00
      6   0.979699D+01 -0.338504D+01  0.103030D+01 -0.173419D+01  0.110543D+01
                86            87            88            89            90 
      1  -0.100036D+02  0.558128D+01 -0.300500D+01  0.106166D+02 -0.176498D+02
      2   0.952843D+01 -0.400216D+01  0.409060D+00 -0.622942D+01  0.146727D+01
      3   0.475192D+00 -0.157912D+01  0.259594D+01 -0.438713D+01  0.161825D+02
      4  -0.162218D+01  0.988758D+00 -0.547105D+01  0.135918D+01 -0.229346D+01
      5   0.103442D+01 -0.164612D+00  0.437853D+01 -0.125891D+01  0.206594D+01
      6  -0.673361D+01  0.939488D+01 -0.416979D+01  0.143742D+02 -0.201984D+02
                91            92            93            94            95 
      1   0.143543D+01 -0.307214D+01 -0.400727D+00 -0.278720D+01 -0.148961D+02
      2   0.579570D+01  0.110326D+02 -0.149836D+01  0.100382D+02  0.316283D+02
      3  -0.723112D+01 -0.796042D+01  0.189908D+01 -0.725105D+01 -0.167322D+02
      4   0.126125D+02  0.160072D+02 -0.378520D+01  0.149645D+02  0.208698D+02
      5  -0.328538D+01 -0.223474D+01  0.338004D+01 -0.211828D+01 -0.383217D+01
      6  -0.386802D+01 -0.331798D+01  0.392445D+01 -0.309735D+01 -0.887368D+01
                96            97            98            99           100 
      1   0.317241D+01 -0.597975D+00  0.573087D+01 -0.420488D+01  0.525134D+00
      2  -0.634306D+01 -0.192471D+01 -0.101055D+02  0.360642D+01 -0.247790D+01
      3   0.317065D+01  0.252268D+01  0.437465D+01  0.598459D+00  0.195277D+01
      4  -0.464735D+01 -0.627292D+01 -0.806883D+01  0.581563D+01  0.248261D+01
      5   0.300809D+01  0.394062D+01  0.406885D+01 -0.267174D+01  0.388753D+01
      6   0.743200D+01  0.502320D+01  0.923443D+01 -0.510913D+01  0.314845D+01
               101           102           103           104           105 
      1  -0.102953D+01  0.285562D+00 -0.180797D+01 -0.301019D+01 -0.271754D+01
      2   0.215592D+01 -0.216862D+01  0.288752D+01  0.250243D+01  0.238473D+01
      3  -0.112639D+01  0.188306D+01 -0.107955D+01  0.507762D+00  0.332810D+00
      4   0.446502D+01  0.335245D+01  0.293079D+01  0.292860D+01  0.155408D+01
      5   0.120284D+01  0.728587D+01 -0.242303D+00  0.129005D+01  0.120328D+00
      6   0.144994D+01  0.317623D+01  0.903260D+00  0.295709D+01  0.605147D+01
               106           107           108           109           110 
      1   0.615481D+00 -0.572559D+01 -0.144823D+02  0.236640D+01 -0.191152D+02
      2  -0.345835D+01  0.328646D+01 -0.763632D+01 -0.248625D+01  0.131673D+02
      3   0.284287D+01  0.243913D+01  0.221186D+02  0.119852D+00  0.594783D+01
      4   0.516324D+01  0.373961D+01  0.713200D+01 -0.190173D+02 -0.191589D+02
      5   0.702820D+01  0.347421D+01  0.125715D+02  0.155675D+02 -0.956986D+00
      6   0.537303D+01  0.956914D+01  0.217596D+02 -0.196669D+01  0.258823D+01
               111           112           113           114           115 
      1   0.113867D+02 -0.242540D+02 -0.188042D+02  0.207767D+01  0.150890D+02
      2  -0.437721D+01  0.173942D+02  0.270894D+01 -0.499208D+01 -0.367461D+01
      3  -0.700953D+01  0.685981D+01  0.160953D+02  0.291441D+01 -0.114144D+02
      4  -0.116465D+01 -0.271645D+02  0.166602D+02  0.150745D+02 -0.175836D+01
      5  -0.289509D+01 -0.100830D+01  0.161870D+02  0.470316D+01 -0.651073D+01
      6   0.529524D+00  0.339388D+01 -0.499672D+01 -0.209070D+01  0.171928D+01
               116           117           118           119           120 
      1   0.123260D+01  0.175727D+01  0.323682D+01 -0.105721D+01 -0.274405D+01
      2  -0.496492D+01  0.485889D+01 -0.504669D+01  0.475033D+00  0.152997D+01
      3   0.373232D+01 -0.661616D+01  0.180987D+01  0.582180D+00  0.121408D+01
      4   0.153552D+02  0.521301D+01 -0.920237D+00  0.163202D+01 -0.583891D-01
      5   0.554580D+01 -0.311319D+02 -0.262986D+01 -0.411435D+00  0.728664D+01
      6  -0.275283D+01  0.667870D+01 -0.157127D+00 -0.174879D+00  0.264981D-01
               121           122           123           124           125 
      1  -0.506564D+00 -0.477533D+01  0.848730D+00 -0.393005D+01  0.116820D+01
      2   0.764264D-02  0.836583D+00  0.672906D+00  0.453216D+01 -0.551584D-01
      3   0.498921D+00  0.393875D+01 -0.152164D+01 -0.602112D+00 -0.111305D+01
      4   0.146871D+01  0.112028D+01 -0.195937D+01  0.790292D+00 -0.227347D+01
      5  -0.490172D+00 -0.247748D+01  0.121104D+01  0.671033D+01  0.618277D+00
      6  -0.323687D+00 -0.405359D+00  0.708177D+01 -0.637964D-01  0.431573D+01
               126           127           128           129           130 
      1  -0.187099D+02  0.179672D+01  0.127383D+01  0.461693D+01  0.180274D+01
      2  -0.175245D+02 -0.278610D+01 -0.811884D+00 -0.309717D+01 -0.157424D+01
      3   0.362344D+02  0.989388D+00 -0.461944D+00 -0.151976D+01 -0.228505D+00
      4   0.121486D+01  0.106262D+01  0.290874D+01 -0.125656D+01  0.564263D+01
      5  -0.215184D+02  0.398975D+01 -0.696001D+00  0.673006D+01 -0.708549D+00
      6   0.111836D-01 -0.108494D+01 -0.566486D+00 -0.584350D+00  0.713737D+00
               131           132           133           134           135 
      1   0.859062D+00  0.613768D+00  0.114030D+02  0.223059D+00 -0.508655D+01
      2  -0.127146D+00 -0.132930D+00 -0.909385D+01  0.141013D-01 -0.132144D+02
      3  -0.731916D+00 -0.480838D+00 -0.230916D+01 -0.237160D+00  0.183009D+02
      4  -0.356768D+01  0.305002D+01 -0.370249D+01  0.634739D+01 -0.414012D+01
      5   0.284493D+01 -0.308256D+01  0.146081D+02 -0.447362D+01  0.401280D+02
      6  -0.117494D+01  0.525850D+01 -0.223846D+01  0.581671D+01 -0.922063D+01
               136           137           138           139           140 
      1   0.456789D+02  0.174961D+02 -0.735255D+01  0.298032D+02  0.142444D+02
      2  -0.239371D+02 -0.933655D+01  0.408350D+01 -0.151920D+02 -0.410936D+01
      3  -0.217418D+02 -0.815957D+01  0.326905D+01 -0.146112D+02 -0.101350D+02
      4   0.169909D+02  0.164302D+02 -0.279284D+01  0.204074D+02  0.183915D+02
      5  -0.835538D+01 -0.306310D+01  0.897290D+01 -0.435939D+01 -0.548448D+01
      6  -0.193994D+00 -0.240821D+00  0.368047D+00 -0.728031D+00 -0.518105D+00
               141           142           143           144           145 
      1  -0.337126D+01 -0.122730D+02 -0.290049D+01  0.535143D+01  0.131692D+02
      2   0.226529D+01  0.698840D+01  0.235756D+01 -0.487265D+01 -0.348351D+01
      3   0.110598D+01  0.528455D+01  0.542933D+00 -0.478782D+00 -0.968564D+01
      4  -0.546691D+01 -0.361231D+01 -0.693412D+01  0.385418D+01 -0.123833D+02
      5   0.738630D+01  0.104425D+02  0.445266D+01 -0.379291D+01 -0.577566D+01
      6   0.212281D+01  0.113535D+01  0.254475D+01 -0.186599D+01  0.241939D+01
               146           147           148           149           150 
      1  -0.749793D+01 -0.449668D+01 -0.129624D+02  0.461204D+01  0.349609D+00
      2   0.297491D+00  0.158152D+01  0.514183D+00  0.134576D+02  0.276776D+01
      3   0.720043D+01  0.291516D+01  0.124483D+02 -0.180696D+02 -0.311737D+01
      4   0.171147D+02  0.431066D+01  0.254466D+02 -0.385805D+02 -0.102998D+02
      5   0.396592D+01  0.515467D+01  0.545008D+01 -0.103994D+02 -0.103659D+02
      6  -0.147623D+01 -0.158598D+01 -0.282294D+01  0.618272D+01  0.659588D+01
               151           152           153 
      1  -0.859794D+01  0.457002D+00  0.411591D+00
      2   0.325580D+01  0.287182D+01 -0.553798D+00
      3   0.534214D+01 -0.332882D+01  0.142207D+00
      4   0.755921D+01 -0.127957D+02 -0.811082D+01
      5   0.759613D+01 -0.853764D+01 -0.507697D+01
      6  -0.308870D+01  0.645685D+01  0.436307D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 18:02:49 2021, MaxMem= 10737418240 cpu:            5649.2 elap:             353.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.25516 -10.39025 -10.31489 -10.30667 -10.30649
 Alpha  occ. eigenvalues --  -10.30475 -10.29698  -1.13814  -0.94953  -0.84739
 Alpha  occ. eigenvalues --   -0.81105  -0.74679  -0.66994  -0.62593  -0.59139
 Alpha  occ. eigenvalues --   -0.55615  -0.53305  -0.52250  -0.50623  -0.50114
 Alpha  occ. eigenvalues --   -0.47409  -0.46583  -0.43966  -0.42722  -0.42053
 Alpha  occ. eigenvalues --   -0.41370  -0.32954
 Alpha virt. eigenvalues --    0.04799   0.08208   0.10306   0.11081   0.11401
 Alpha virt. eigenvalues --    0.13913   0.14285   0.15434   0.16440   0.17139
 Alpha virt. eigenvalues --    0.18471   0.18857   0.19178   0.20895   0.21678
 Alpha virt. eigenvalues --    0.22178   0.22680   0.22973   0.24455   0.25005
 Alpha virt. eigenvalues --    0.26716   0.27978   0.28196   0.28941   0.29952
 Alpha virt. eigenvalues --    0.30785   0.32585   0.33612   0.34002   0.35364
 Alpha virt. eigenvalues --    0.36090   0.37134   0.38001   0.38250   0.38752
 Alpha virt. eigenvalues --    0.39255   0.40104   0.40203   0.40500   0.41291
 Alpha virt. eigenvalues --    0.41921   0.42763   0.43979   0.44443   0.45114
 Alpha virt. eigenvalues --    0.45945   0.46275   0.46807   0.47084   0.47577
 Alpha virt. eigenvalues --    0.48104   0.49239   0.50755   0.51233   0.52309
 Alpha virt. eigenvalues --    0.52320   0.53052   0.54450   0.55477   0.56026
 Alpha virt. eigenvalues --    0.56904   0.57006   0.57747   0.58026   0.58995
 Alpha virt. eigenvalues --    0.59954   0.60127   0.60240   0.61821   0.62639
 Alpha virt. eigenvalues --    0.62961   0.64092   0.64753   0.64978   0.65924
 Alpha virt. eigenvalues --    0.67385   0.68180   0.68531   0.69527   0.70732
 Alpha virt. eigenvalues --    0.71215   0.72927   0.74702   0.75552   0.76552
 Alpha virt. eigenvalues --    0.79114   0.80452   0.81089   0.81320   0.86144
 Alpha virt. eigenvalues --    0.88932   0.91323   0.92380   0.96774   0.97641
 Alpha virt. eigenvalues --    0.99926   1.01859   1.02984   1.03835   1.06370
 Alpha virt. eigenvalues --    1.07831   1.08137   1.09916   1.10591   1.11488
 Alpha virt. eigenvalues --    1.12635   1.13463   1.14430   1.17260   1.19369
 Alpha virt. eigenvalues --    1.22158   1.23388   1.25505   1.26275   1.30265
 Alpha virt. eigenvalues --    1.30825   1.34024   1.35307   1.39537   1.41315
 Alpha virt. eigenvalues --    1.41956   1.44106   1.44853   1.47397   1.49534
 Alpha virt. eigenvalues --    1.54862   1.57821   1.67486   1.70357   1.72344
 Alpha virt. eigenvalues --    1.74702   1.75192   1.75648   1.78066   1.80307
 Alpha virt. eigenvalues --    1.82152   1.82866   1.86294   1.89032   1.91068
 Alpha virt. eigenvalues --    1.91872   1.94164   1.95796   1.97335   1.99037
 Alpha virt. eigenvalues --    2.01567   2.02989   2.06465   2.08420   2.10332
 Alpha virt. eigenvalues --    2.11914   2.13834   2.15728   2.16904   2.18897
 Alpha virt. eigenvalues --    2.20604   2.21872   2.22523   2.28132   2.29932
 Alpha virt. eigenvalues --    2.31735   2.34975   2.37067   2.38873   2.42849
 Alpha virt. eigenvalues --    2.48020   2.50453   2.54722   2.57441   2.59001
 Alpha virt. eigenvalues --    2.61624   2.64527   2.67024   2.70407   2.70800
 Alpha virt. eigenvalues --    2.72392   2.79492   2.80319   2.84378   2.90266
 Alpha virt. eigenvalues --    2.96616   2.99573   3.02084   3.05347   3.08833
 Alpha virt. eigenvalues --    3.11709   3.14543   3.15159   3.20330   3.22044
 Alpha virt. eigenvalues --    3.23922   3.29576   3.29850   3.33966   3.55116
 Alpha virt. eigenvalues --    3.93355
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.540662   0.279286   0.305995  -0.031931  -0.006999   0.020338
     2  C    0.279286   5.611115   0.006051  -0.009604   0.301248   0.034371
     3  C    0.305995   0.006051   4.900534   0.290867  -0.299035   0.296475
     4  C   -0.031931  -0.009604   0.290867   4.883614   0.311997   0.017601
     5  C   -0.006999   0.301248  -0.299035   0.311997   4.966525  -0.010641
     6  H    0.020338   0.034371   0.296475   0.017601  -0.010641   0.558429
     7  H   -0.001307  -0.001331   0.325217   0.082868  -0.008676  -0.016655
     8  O    0.002237  -0.008651  -0.039175   0.385778   0.000762  -0.011330
     9  H    0.007565  -0.019029   0.012658   0.037161   0.297940   0.003632
    10  H    0.018006   0.032492   0.020186  -0.017221   0.202991  -0.002031
    11  H    0.297207   0.083992  -0.024243   0.021505   0.000527  -0.037605
    12  H    0.307381   0.037513  -0.082266   0.017146   0.039922   0.000837
    13  C   -0.026289   0.336773   0.005088   0.021271  -0.017664   0.000208
    14  H    0.010080   0.273713   0.021670  -0.033534  -0.011692  -0.009015
    15  H   -0.018218   0.089545   0.003533   0.007178  -0.017897   0.000385
    16  H   -0.014366   0.077643   0.000400  -0.001038   0.019994  -0.000403
    17  H    0.016882   0.121799  -0.001244  -0.004782  -0.024917  -0.000463
               7          8          9         10         11         12
     1  C   -0.001307   0.002237   0.007565   0.018006   0.297207   0.307381
     2  C   -0.001331  -0.008651  -0.019029   0.032492   0.083992   0.037513
     3  C    0.325217  -0.039175   0.012658   0.020186  -0.024243  -0.082266
     4  C    0.082868   0.385778   0.037161  -0.017221   0.021505   0.017146
     5  C   -0.008676   0.000762   0.297940   0.202991   0.000527   0.039922
     6  H   -0.016655  -0.011330   0.003632  -0.002031  -0.037605   0.000837
     7  H    0.705132  -0.022546  -0.001082   0.003036   0.026479  -0.038493
     8  O   -0.022546   8.115402  -0.027459  -0.011309  -0.000610   0.003044
     9  H   -0.001082  -0.027459   0.808843  -0.028526  -0.003891  -0.001680
    10  H    0.003036  -0.011309  -0.028526   0.680387  -0.001027  -0.018127
    11  H    0.026479  -0.000610  -0.003891  -0.001027   0.881272  -0.052536
    12  H   -0.038493   0.003044  -0.001680  -0.018127  -0.052536   0.781122
    13  C   -0.000769  -0.000487   0.011553  -0.022298  -0.023208  -0.025181
    14  H   -0.000733   0.009108  -0.065509   0.017205  -0.016822   0.009338
    15  H   -0.000192  -0.000461   0.001191   0.012093  -0.005990   0.002926
    16  H    0.000241  -0.000038   0.003402   0.002688   0.008804  -0.017952
    17  H    0.000087   0.000897  -0.002938  -0.016783   0.003631   0.001295
              13         14         15         16         17
     1  C   -0.026289   0.010080  -0.018218  -0.014366   0.016882
     2  C    0.336773   0.273713   0.089545   0.077643   0.121799
     3  C    0.005088   0.021670   0.003533   0.000400  -0.001244
     4  C    0.021271  -0.033534   0.007178  -0.001038  -0.004782
     5  C   -0.017664  -0.011692  -0.017897   0.019994  -0.024917
     6  H    0.000208  -0.009015   0.000385  -0.000403  -0.000463
     7  H   -0.000769  -0.000733  -0.000192   0.000241   0.000087
     8  O   -0.000487   0.009108  -0.000461  -0.000038   0.000897
     9  H    0.011553  -0.065509   0.001191   0.003402  -0.002938
    10  H   -0.022298   0.017205   0.012093   0.002688  -0.016783
    11  H   -0.023208  -0.016822  -0.005990   0.008804   0.003631
    12  H   -0.025181   0.009338   0.002926  -0.017952   0.001295
    13  C    4.155336  -0.023890   0.275185   0.264744   0.232969
    14  H   -0.023890   1.025391  -0.001126  -0.002784   0.016816
    15  H    0.275185  -0.001126   0.627806  -0.002199  -0.031578
    16  H    0.264744  -0.002784  -0.002199   0.609648   0.001186
    17  H    0.232969   0.016816  -0.031578   0.001186   0.676071
 Mulliken charges:
               1
     1  C    0.293472
     2  C   -1.246926
     3  C    0.257289
     4  C    0.021124
     5  C    0.255617
     6  H    0.155868
     7  H   -0.051275
     8  O   -0.395162
     9  H   -0.033834
    10  H    0.128239
    11  H   -0.157484
    12  H    0.035710
    13  C    0.836659
    14  H   -0.218217
    15  H    0.057817
    16  H    0.050028
    17  H    0.011072
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.171699
     2  C   -1.465143
     3  C    0.361882
     4  C    0.021124
     5  C    0.350022
     8  O   -0.395162
    13  C    0.955578
 Electronic spatial extent (au):  <R**2>=            818.3963
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.1510    Y=              1.2030    Z=             -0.1975  Tot=              3.3786
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -53.4464   YY=            -42.8545   ZZ=            -41.8877
   XY=             -3.8211   XZ=              0.1145   YZ=             -0.0005
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.3835   YY=              3.2083   ZZ=              4.1752
   XY=             -3.8211   XZ=              0.1145   YZ=             -0.0005
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             21.7424  YYY=             -1.1510  ZZZ=              0.4315  XYY=             -0.0418
  XXY=              9.7938  XXZ=             -1.4860  XZZ=             -3.3055  YZZ=             -0.4694
  YYZ=             -1.3540  XYZ=             -0.6775
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -788.2273 YYYY=           -288.8387 ZZZZ=            -84.1385 XXXY=            -15.7942
 XXXZ=             -2.6674 YYYX=             -0.7113 YYYZ=              1.5705 ZZZX=              1.1243
 ZZZY=             -1.4199 XXYY=           -170.0191 XXZZ=           -130.4747 YYZZ=            -60.1562
 XXYZ=              1.0913 YYXZ=             -2.3329 ZZXY=              0.0489
 N-N= 3.060908189920D+02 E-N=-1.330367945623D+03  KE= 3.060596955753D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 18:02:49 2021, MaxMem= 10737418240 cpu:               4.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.16987960D+00 4.47327229D-01-7.97472953D-02
 Polarizability= 8.20998665D+01-1.97653910D-01 7.14869907D+01
                 2.18277203D-01-4.09231922D-01 5.84645547D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.1424   -0.1434        0.1023    0.1022
 2      0.1424    0.1434        0.2203    0.2207       -5.7453   -5.7466
 3     -0.1023   -0.1022       12.4572   12.4549       -0.2204   -0.2207
 4     -0.2203   -0.2207       -0.0000    0.0000       -0.1021   -0.1022
 5     -6.7119   -6.7083        0.1021    0.1022       -0.1424   -0.1434
 6      0.2204    0.2207        0.1424    0.1434       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.4301    0.4301        0.3066    0.3066
 2     -0.6620   -0.6620       -0.0000    0.0000        0.3066    0.3066
 3     -0.6620   -0.6620        0.4301    0.4301        0.0000    0.0000
 4      0.4301    0.4301        0.6620    0.6620      -17.2398  -17.2398
 5     -0.3066   -0.3066       37.3646   37.3646       -0.6620   -0.6620
 6    -20.1248  -20.1248        0.3066    0.3066       -0.4301   -0.4301
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0105    0.0000        0.5170    0.5734       -0.3227   -0.4089
 2     -0.6368   -0.5734       -0.9813   -0.8827       22.8558   22.9864
 3      0.3487    0.4089      -49.8694  -49.8194        0.9457    0.8827
 4      0.9943    0.8827       -0.0468    0.0000        0.5683    0.4089
 5     26.9671   26.8330       -0.3120   -0.4089        0.6920    0.5734
 6     -0.8462   -0.8827       -0.6064   -0.5734       -0.0287    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.3299    0.0000        2.9831    2.7169        0.2314    0.1078
 2     -2.6252   -2.7169        5.7678    6.1898       -4.5251   -4.0560
 3      0.1452   -0.1078        2.3473    2.3570       -6.3627   -6.1898
 4     -6.1319   -6.1898       -0.0689    0.0000       -0.3264   -0.1078
 5      1.6617    1.6990        0.0834    0.1078        2.7397    2.7169
 6      6.2081    6.1898       -2.7655   -2.7169        0.0098    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.8951   -1.8303       19.6485   19.7684        7.0573    7.1421
 2    -17.6574  -17.6436       21.8244   21.8521        7.0623    7.1421
 3    -17.5949  -17.6436       19.7055   19.7684        3.9969    4.0612
 4     -2.2316   -2.0836       15.4347   15.8134       -9.2216   -9.2835
 5     -3.0188   -3.0809        0.6386    0.8004      -15.7857  -15.8134
 6      8.3349    8.4831        3.0163    3.0809        2.2226    2.0836
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.9418   -0.0005   -0.0004    0.0005    4.6992   10.1764
 Low frequencies ---   85.9645  172.0819  241.6185
 Diagonal vibrational polarizability:
        3.5032084       3.8653291      21.0127098
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     85.9637               172.0815               241.6185
 Red. masses --      2.9598                 1.9348                 1.0574
 Frc consts  --      0.0129                 0.0338                 0.0364
 IR Inten    --      5.5435                 0.2528                 0.0665
 RamAct Fr= 1--      0.3775                 0.2181                 0.0436
  Dep-P Fr= 1--      0.7394                 0.6350                 0.6236
  Dep-U Fr= 1--      0.8501                 0.7768                 0.7682
 Alpha2 Fr= 1--      0.0001                 0.0005                 0.0001
 Beta2  Fr= 1--      0.0535                 0.0282                 0.0056
 AlphaG Fr= 1--     -0.0007                -0.0034                 0.0001
 Gamma2 Fr= 1--     -0.1329                -0.1716                -0.0560
 Delta2 Fr= 1--      0.1030                -0.0511                 0.0474
 Raman1 Fr= 1--       1.510                  0.872                  0.174
 ROA1   Fr= 1--      -9.463                -18.111                 -3.861
 CID1   Fr= 1--      -6.267                -20.761                -22.156
 Raman2 Fr= 1--       0.642                  0.339                  0.067
 ROA2   Fr= 1--      -4.014                 -3.710                 -1.724
 CID2   Fr= 1--      -6.254                -10.949                -25.759
 Raman3 Fr= 1--       1.284                  0.678                  0.134
 ROA3   Fr= 1--      -9.463                -18.111                 -3.861
 CID3   Fr= 1--      -7.371                -26.727                -28.843
 RC180  Fr= 1--       0.700                  0.554                  0.536
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.02    -0.03  -0.04   0.17    -0.01   0.01   0.03
     2   6     0.04   0.03  -0.03    -0.02   0.02   0.06     0.00   0.03   0.00
     3   6     0.00  -0.01  -0.13     0.02  -0.01  -0.15    -0.01   0.00  -0.00
     4   6     0.00   0.00  -0.03    -0.01   0.01  -0.02     0.00  -0.00  -0.01
     5   6    -0.00  -0.02  -0.24     0.00   0.01   0.08     0.01   0.01  -0.03
     6   1     0.13  -0.11  -0.19     0.30  -0.17  -0.28     0.02   0.00  -0.01
     7   1    -0.07   0.07  -0.25    -0.14   0.12  -0.40    -0.03   0.00  -0.02
     8   8     0.01   0.01   0.24    -0.01   0.02   0.02     0.01  -0.02   0.00
     9   1    -0.04   0.14  -0.46     0.04  -0.03   0.12     0.02   0.04  -0.06
    10   1    -0.02  -0.29  -0.34    -0.02   0.07   0.10     0.01  -0.03  -0.04
    11   1     0.02   0.03   0.13     0.08   0.02   0.38    -0.01   0.04   0.08
    12   1    -0.14  -0.08   0.05    -0.25  -0.20   0.22    -0.04  -0.03   0.04
    13   6    -0.03  -0.00   0.13     0.04   0.00  -0.13    -0.01  -0.02  -0.00
    14   1     0.18   0.13  -0.02    -0.12   0.10   0.07     0.01   0.04   0.00
    15   1    -0.18  -0.11   0.13     0.18  -0.10  -0.14     0.12   0.51   0.03
    16   1     0.01   0.03   0.31    -0.01   0.05  -0.15     0.12  -0.34  -0.47
    17   1     0.04   0.04   0.09     0.01   0.05  -0.26    -0.28  -0.30   0.43
                      4                      5                      6
                      A                      A                      A
 Frequencies --    281.8158               413.1140               461.5819
 Red. masses --      2.5876                 1.8208                 2.2680
 Frc consts  --      0.1211                 0.1831                 0.2847
 IR Inten    --      1.0650                 0.5374                 0.5640
 RamAct Fr= 1--      0.4256                 0.8168                 2.2597
  Dep-P Fr= 1--      0.7198                 0.1297                 0.3238
  Dep-U Fr= 1--      0.8371                 0.2296                 0.4891
 Alpha2 Fr= 1--      0.0002                 0.0133                 0.0216
 Beta2  Fr= 1--      0.0594                 0.0313                 0.1842
 AlphaG Fr= 1--     -0.0020                 0.0077                 0.0244
 Gamma2 Fr= 1--     -0.1608                -0.1637                 0.7242
 Delta2 Fr= 1--      0.0283                -0.0402                -0.4310
 Raman1 Fr= 1--       1.702                  3.267                  9.039
 ROA1   Fr= 1--     -14.530                -17.005                 55.730
 CID1   Fr= 1--      -8.535                 -5.205                  6.166
 Raman2 Fr= 1--       0.713                  0.375                  2.211
 ROA2   Fr= 1--      -4.086                 -3.608                 20.829
 CID2   Fr= 1--      -5.735                 -9.620                  9.422
 Raman3 Fr= 1--       1.425                  0.750                  4.421
 ROA3   Fr= 1--     -14.530                -17.005                 55.730
 CID3   Fr= 1--     -10.197                -22.671                 12.605
 RC180  Fr= 1--       0.674                 -0.541                 -0.022
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.13   0.01    -0.02   0.10  -0.03     0.03   0.03   0.00
     2   6    -0.01  -0.12  -0.00     0.03   0.01   0.17    -0.08   0.02  -0.04
     3   6     0.05  -0.04   0.02    -0.03  -0.03  -0.00     0.07  -0.01   0.01
     4   6    -0.03  -0.01  -0.00    -0.02  -0.02   0.04     0.06   0.00   0.23
     5   6    -0.05  -0.12  -0.03    -0.01  -0.05  -0.02     0.00  -0.05   0.01
     6   1     0.05  -0.00   0.03    -0.07  -0.12  -0.03     0.21  -0.43  -0.17
     7   1     0.08  -0.03   0.05    -0.07  -0.01  -0.05    -0.01   0.29  -0.32
     8   8    -0.08   0.12  -0.01    -0.05   0.04  -0.02     0.05  -0.01  -0.10
     9   1    -0.11  -0.06  -0.10    -0.01   0.16  -0.33    -0.18   0.15  -0.25
    10   1    -0.08  -0.21  -0.06    -0.09  -0.42  -0.13     0.23  -0.37  -0.13
    11   1     0.09  -0.14   0.04    -0.11   0.00  -0.31     0.04  -0.00  -0.04
    12   1     0.04  -0.18   0.01     0.03   0.44  -0.06     0.09   0.03  -0.01
    13   6     0.08   0.22   0.01     0.11  -0.04  -0.03    -0.14   0.04  -0.01
    14   1    -0.01  -0.14  -0.00     0.03   0.01   0.17    -0.13   0.03  -0.04
    15   1     0.17   0.52   0.03     0.37  -0.13  -0.04    -0.24   0.06  -0.00
    16   1    -0.14   0.35  -0.22     0.07  -0.05  -0.16    -0.12   0.04   0.05
    17   1     0.32   0.21   0.23    -0.01  -0.02  -0.19    -0.10   0.03   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    489.2637               539.5868               585.8708
 Red. masses --      3.5448                 3.7346                 2.7715
 Frc consts  --      0.4999                 0.6406                 0.5605
 IR Inten    --      7.6932                 4.0311                 3.5677
 RamAct Fr= 1--      1.4479                 5.9109                 1.7147
  Dep-P Fr= 1--      0.7410                 0.1677                 0.6772
  Dep-U Fr= 1--      0.8512                 0.2872                 0.8075
 Alpha2 Fr= 1--      0.0002                 0.0873                 0.0022
 Beta2  Fr= 1--      0.2054                 0.2829                 0.2308
 AlphaG Fr= 1--     -0.0020                 0.0981                 0.0270
 Gamma2 Fr= 1--      0.0138                -0.1119                 0.0118
 Delta2 Fr= 1--      0.1185                 0.1329                 0.1744
 Raman1 Fr= 1--       5.792                 23.643                  6.859
 ROA1   Fr= 1--       5.115                 -6.487                  6.712
 CID1   Fr= 1--       0.883                 -0.274                  0.979
 Raman2 Fr= 1--       2.465                  3.395                  2.769
 ROA2   Fr= 1--      -0.616                 -3.748                 -1.113
 CID2   Fr= 1--      -0.250                 -1.104                 -0.402
 Raman3 Fr= 1--       4.930                  6.790                  5.539
 ROA3   Fr= 1--       5.115                 -6.487                  6.712
 CID3   Fr= 1--       1.037                 -0.955                  1.212
 RC180  Fr= 1--       0.702                 -0.426                  0.615
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.02   0.00     0.03  -0.05  -0.03     0.18   0.08   0.05
     2   6     0.05   0.11  -0.10     0.16   0.03  -0.12    -0.03   0.07   0.03
     3   6    -0.03  -0.21   0.03    -0.04   0.00   0.04     0.17  -0.08   0.05
     4   6     0.04  -0.13   0.03    -0.19   0.04   0.19    -0.09  -0.10  -0.11
     5   6     0.17  -0.05   0.01    -0.03   0.15  -0.03    -0.05   0.03  -0.05
     6   1    -0.07  -0.32   0.00     0.08  -0.33  -0.11     0.42  -0.14  -0.04
     7   1    -0.15  -0.27  -0.03     0.05   0.40  -0.22     0.05   0.04  -0.17
     8   8    -0.11   0.25  -0.01    -0.17  -0.10  -0.06    -0.12  -0.08   0.04
     9   1     0.36  -0.19   0.18    -0.16   0.10   0.07     0.23  -0.13   0.14
    10   1     0.34   0.19   0.06     0.15   0.21  -0.04    -0.17   0.28   0.06
    11   1    -0.23   0.14   0.06    -0.06   0.09   0.14     0.04  -0.02  -0.28
    12   1    -0.05  -0.04   0.00     0.02  -0.22  -0.01     0.41   0.33  -0.01
    13   6    -0.02  -0.03   0.01     0.21  -0.04   0.04    -0.08   0.04  -0.01
    14   1     0.06   0.13  -0.10     0.28   0.01  -0.12    -0.06   0.16   0.04
    15   1    -0.20  -0.07   0.01     0.11  -0.03   0.04    -0.07   0.07  -0.01
    16   1     0.16  -0.15   0.14     0.26  -0.07   0.10    -0.09   0.05  -0.03
    17   1    -0.13  -0.08   0.04     0.22  -0.05   0.08    -0.07   0.04   0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    728.5251               813.0151               846.7990
 Red. masses --      1.9441                 3.0333                 2.2085
 Frc consts  --      0.6079                 1.1813                 0.9331
 IR Inten    --      2.3210                 3.4007                 0.6577
 RamAct Fr= 1--      2.1536                12.1199                 4.9307
  Dep-P Fr= 1--      0.0665                 0.1045                 0.1197
  Dep-U Fr= 1--      0.1247                 0.1892                 0.2138
 Alpha2 Fr= 1--      0.0409                 0.2099                 0.0822
 Beta2  Fr= 1--      0.0448                 0.3822                 0.1757
 AlphaG Fr= 1--     -0.0386                -0.0892                -0.1901
 Gamma2 Fr= 1--     -0.3018                 0.7265                -0.4060
 Delta2 Fr= 1--     -0.2979                -0.0087                 0.1656
 Raman1 Fr= 1--       8.614                 48.479                 19.723
 ROA1   Fr= 1--     -38.501                 69.467                -33.673
 CID1   Fr= 1--      -4.469                  1.433                 -1.707
 Raman2 Fr= 1--       0.537                  4.587                  2.109
 ROA2   Fr= 1--      -4.860                 17.505                -11.068
 CID2   Fr= 1--      -9.049                  3.817                 -5.249
 Raman3 Fr= 1--       1.074                  9.173                  4.217
 ROA3   Fr= 1--     -38.501                 69.467                -33.673
 CID3   Fr= 1--     -35.847                  7.573                 -7.985
 RC180  Fr= 1--      -0.751                 -0.622                 -0.572
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.04    -0.05   0.10   0.07     0.04   0.19   0.06
     2   6    -0.01  -0.07  -0.01    -0.02  -0.08  -0.07     0.01   0.01  -0.12
     3   6    -0.06  -0.08   0.10    -0.07   0.26   0.05     0.02  -0.05  -0.04
     4   6     0.08   0.07  -0.02    -0.04  -0.03  -0.02     0.03  -0.03  -0.02
     5   6    -0.10   0.05  -0.09     0.13  -0.23  -0.04    -0.15  -0.07   0.08
     6   1     0.20  -0.42  -0.08     0.25   0.09  -0.09    -0.02   0.12   0.03
     7   1    -0.30   0.09  -0.26    -0.22   0.41  -0.21    -0.15  -0.32   0.05
     8   8     0.11   0.04  -0.00    -0.04  -0.01   0.01     0.01  -0.01   0.01
     9   1    -0.18  -0.15   0.22     0.23  -0.40   0.18    -0.43   0.01  -0.00
    10   1    -0.24   0.39   0.05     0.22   0.07   0.05    -0.13  -0.21   0.03
    11   1    -0.25  -0.05  -0.23     0.00  -0.04  -0.14    -0.06   0.33   0.20
    12   1     0.15   0.20  -0.02     0.13   0.24   0.03     0.00   0.02   0.07
    13   6     0.04  -0.02   0.01     0.05  -0.03  -0.00     0.10  -0.03  -0.02
    14   1     0.07   0.01  -0.01    -0.05   0.03  -0.06    -0.18  -0.01  -0.12
    15   1     0.10   0.03   0.01    -0.11   0.04   0.01    -0.27   0.09  -0.00
    16   1    -0.06   0.05  -0.05     0.06  -0.01   0.08     0.18  -0.02   0.21
    17   1     0.13   0.00   0.02     0.17  -0.05   0.13     0.27  -0.08   0.23
                     13                     14                     15
                      A                      A                      A
 Frequencies --    893.0032               938.9536               953.0763
 Red. masses --      1.6298                 1.7363                 1.3845
 Frc consts  --      0.7658                 0.9019                 0.7410
 IR Inten    --      4.7625                 0.6940                 2.0220
 RamAct Fr= 1--      0.8158                 1.3195                 0.6184
  Dep-P Fr= 1--      0.3641                 0.5221                 0.4465
  Dep-U Fr= 1--      0.5338                 0.6860                 0.6174
 Alpha2 Fr= 1--      0.0068                 0.0059                 0.0038
 Beta2  Fr= 1--      0.0726                 0.1509                 0.0636
 AlphaG Fr= 1--      0.0389                -0.0181                 0.0420
 Gamma2 Fr= 1--      0.0584                 0.2170                -0.3298
 Delta2 Fr= 1--     -0.3226                 0.4552                -0.0968
 Raman1 Fr= 1--       3.263                  5.278                  2.474
 ROA1   Fr= 1--      -4.717                 35.397                -34.759
 CID1   Fr= 1--      -1.445                  6.707                -14.052
 Raman2 Fr= 1--       0.871                  1.810                  0.764
 ROA2   Fr= 1--       3.982                  1.566                 -7.141
 CID2   Fr= 1--       4.572                  0.865                 -9.351
 Raman3 Fr= 1--       1.742                  3.621                  1.527
 ROA3   Fr= 1--      -4.717                 35.397                -34.759
 CID3   Fr= 1--      -2.708                  9.776                -22.760
 RC180  Fr= 1--       0.068                  0.372                  0.235
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.09   0.05    -0.07  -0.07  -0.06    -0.04  -0.08   0.07
     2   6     0.01  -0.02  -0.03     0.01   0.11  -0.01    -0.00   0.04   0.00
     3   6    -0.06  -0.03   0.02     0.06   0.02   0.06     0.04  -0.01  -0.09
     4   6    -0.03   0.06  -0.08     0.00   0.02  -0.05    -0.00   0.02   0.07
     5   6     0.09   0.09   0.10    -0.06  -0.10   0.04    -0.03  -0.02  -0.04
     6   1     0.30   0.14  -0.02     0.22  -0.04  -0.00    -0.07   0.26   0.03
     7   1    -0.23  -0.06  -0.10     0.13   0.23  -0.06     0.21  -0.12   0.15
     8   8    -0.01  -0.00   0.01     0.02  -0.01   0.01     0.01  -0.01  -0.01
     9   1     0.04   0.34  -0.26    -0.06  -0.08   0.01    -0.29  -0.13   0.16
    10   1     0.08  -0.33  -0.04    -0.28  -0.11   0.07     0.25   0.15  -0.02
    11   1    -0.23  -0.14  -0.27    -0.18   0.02  -0.01    -0.06  -0.29  -0.32
    12   1     0.32   0.12  -0.03     0.05  -0.16  -0.08    -0.05   0.40   0.04
    13   6     0.01  -0.00  -0.04     0.05   0.10   0.01     0.03   0.01  -0.01
    14   1    -0.22  -0.06  -0.03    -0.05  -0.06  -0.02    -0.03   0.44   0.03
    15   1    -0.29   0.07  -0.02    -0.07  -0.21  -0.01    -0.12   0.02  -0.01
    16   1     0.09  -0.01   0.15     0.49  -0.28   0.15     0.14  -0.05   0.09
    17   1     0.09  -0.05   0.14    -0.48  -0.03  -0.11    -0.01  -0.04   0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1001.0357              1007.7734              1085.6066
 Red. masses --      1.7890                 1.2097                 2.6980
 Frc consts  --      1.0562                 0.7239                 1.8734
 IR Inten    --      2.3278                 1.1242                14.4784
 RamAct Fr= 1--      4.1352                 1.6681                 2.0857
  Dep-P Fr= 1--      0.4367                 0.3253                 0.7493
  Dep-U Fr= 1--      0.6080                 0.4910                 0.8567
 Alpha2 Fr= 1--      0.0267                 0.0158                 0.0000
 Beta2  Fr= 1--      0.4190                 0.1365                 0.2978
 AlphaG Fr= 1--      0.0278                -0.1300                 0.0021
 Gamma2 Fr= 1--     -0.5121                -0.3368                -0.2698
 Delta2 Fr= 1--      0.1587                 1.1890                 0.2515
 Raman1 Fr= 1--      16.541                  6.672                  8.343
 ROA1   Fr= 1--     -44.087                  5.718                -17.848
 CID1   Fr= 1--      -2.665                  0.857                 -2.139
 Raman2 Fr= 1--       5.028                  1.638                  3.573
 ROA2   Fr= 1--     -13.561                -17.594                 -8.486
 CID2   Fr= 1--      -2.697                -10.742                 -2.375
 Raman3 Fr= 1--      10.056                  3.276                  7.147
 ROA3   Fr= 1--     -44.087                  5.718                -17.848
 CID3   Fr= 1--      -4.384                  1.745                 -2.497
 RC180  Fr= 1--       0.216                 -0.018                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17   0.04  -0.01     0.04   0.01   0.03     0.04   0.03   0.04
     2   6     0.00  -0.04  -0.03     0.04   0.00  -0.05     0.26  -0.09   0.05
     3   6     0.17  -0.02   0.01    -0.04   0.01  -0.02    -0.03  -0.05  -0.00
     4   6    -0.02   0.01  -0.01    -0.00   0.01  -0.00    -0.06   0.14  -0.01
     5   6     0.02   0.02   0.02    -0.01  -0.03   0.03     0.06  -0.08   0.01
     6   1     0.34   0.22   0.06     0.19   0.22  -0.00    -0.25  -0.15   0.01
     7   1     0.36   0.10   0.07    -0.28  -0.21  -0.04     0.17   0.11   0.03
     8   8    -0.01  -0.02   0.00    -0.01  -0.00   0.00    -0.01  -0.02   0.00
     9   1    -0.02   0.06  -0.03    -0.34  -0.03   0.06    -0.18  -0.11   0.08
    10   1     0.14  -0.05  -0.02     0.30  -0.05  -0.03    -0.29  -0.05   0.07
    11   1    -0.56   0.28   0.02    -0.06   0.03  -0.03    -0.20   0.19   0.07
    12   1    -0.14   0.05  -0.01     0.28  -0.06  -0.02    -0.21   0.25   0.08
    13   6    -0.02  -0.05   0.02    -0.05   0.04   0.06    -0.14   0.06  -0.11
    14   1     0.11  -0.12  -0.03     0.39  -0.06  -0.04     0.34  -0.05   0.05
    15   1     0.16   0.04   0.02     0.34  -0.13   0.03    -0.44   0.09  -0.11
    16   1    -0.24   0.11  -0.13    -0.09  -0.03  -0.20    -0.07   0.04   0.04
    17   1     0.17   0.03  -0.02    -0.27   0.09  -0.24    -0.18  -0.01   0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1149.8992              1161.7118              1173.7216
 Red. masses --      2.1147                 3.0108                 1.5625
 Frc consts  --      1.6475                 2.3940                 1.2683
 IR Inten    --      1.5556                57.5608                 6.6993
 RamAct Fr= 1--      1.8444                 1.8018                 1.0388
  Dep-P Fr= 1--      0.7380                 0.7128                 0.7177
  Dep-U Fr= 1--      0.8492                 0.8324                 0.8356
 Alpha2 Fr= 1--      0.0004                 0.0012                 0.0006
 Beta2  Fr= 1--      0.2611                 0.2500                 0.1447
 AlphaG Fr= 1--     -0.0046                 0.0028                 0.0004
 Gamma2 Fr= 1--     -0.3732                 0.6915                -0.7297
 Delta2 Fr= 1--      0.1939                 0.0206                 0.2207
 Raman1 Fr= 1--       7.378                  7.207                  4.155
 ROA1   Fr= 1--     -29.622                 67.047                -62.991
 CID1   Fr= 1--      -4.015                  9.303                -15.160
 Raman2 Fr= 1--       3.133                  2.999                  1.736
 ROA2   Fr= 1--     -10.508                 16.433                -19.279
 CID2   Fr= 1--      -3.354                  5.479                -11.105
 Raman3 Fr= 1--       6.265                  5.999                  3.472
 ROA3   Fr= 1--     -29.622                 67.047                -62.991
 CID3   Fr= 1--      -4.728                 11.177                -18.141
 RC180  Fr= 1--       0.698                  0.665                  0.671
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.09  -0.05     0.08   0.02  -0.03     0.06  -0.04   0.01
     2   6     0.08   0.17  -0.00    -0.13   0.04  -0.02    -0.01   0.06   0.02
     3   6    -0.08   0.04   0.03     0.01  -0.13   0.04    -0.06  -0.02  -0.09
     4   6     0.04  -0.08  -0.07    -0.11   0.28  -0.11    -0.02   0.07   0.12
     5   6    -0.07  -0.06   0.09     0.04  -0.13   0.04    -0.03  -0.06  -0.05
     6   1     0.01  -0.06  -0.03    -0.27  -0.33   0.03     0.08   0.32  -0.00
     7   1     0.16   0.37  -0.04     0.11   0.04  -0.02     0.01  -0.11   0.05
     8   8     0.02   0.02   0.01     0.03  -0.04   0.02     0.03  -0.00  -0.02
     9   1    -0.12   0.01  -0.01     0.06  -0.10  -0.01     0.53  -0.14  -0.00
    10   1    -0.04  -0.17   0.04     0.56  -0.05  -0.02    -0.27   0.07   0.04
    11   1    -0.10   0.01  -0.02    -0.01   0.13   0.09    -0.44   0.26   0.02
    12   1     0.05  -0.05  -0.05    -0.15  -0.01   0.02     0.36  -0.15  -0.04
    13   6    -0.04  -0.11  -0.01     0.04  -0.03   0.07     0.00  -0.02   0.00
    14   1     0.20   0.47   0.02    -0.19   0.34  -0.01    -0.09  -0.11   0.01
    15   1     0.05   0.24   0.01     0.28  -0.03   0.06     0.02   0.04   0.01
    16   1    -0.38   0.21  -0.08    -0.04  -0.00  -0.06    -0.06   0.04   0.00
    17   1     0.38   0.02   0.05     0.09   0.03  -0.03     0.09   0.00   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1224.2581              1255.4362              1269.5278
 Red. masses --      1.6254                 1.4809                 1.5134
 Frc consts  --      1.4353                 1.3752                 1.4371
 IR Inten    --      1.2887                 0.2313                 7.1775
 RamAct Fr= 1--      1.6412                 4.1816                 0.4142
  Dep-P Fr= 1--      0.5360                 0.7293                 0.5336
  Dep-U Fr= 1--      0.6979                 0.8434                 0.6959
 Alpha2 Fr= 1--      0.0068                 0.0015                 0.0017
 Beta2  Fr= 1--      0.1909                 0.5878                 0.0480
 AlphaG Fr= 1--      0.0159                 0.0015                 0.0046
 Gamma2 Fr= 1--     -1.1877                 0.5368                -0.3845
 Delta2 Fr= 1--     -0.4834                 0.1813                -0.3789
 Raman1 Fr= 1--       6.565                 16.726                  1.657
 ROA1   Fr= 1--    -129.485                 57.336                -49.041
 CID1   Fr= 1--     -19.725                  3.428                -29.602
 Raman2 Fr= 1--       2.291                  7.054                  0.576
 ROA2   Fr= 1--     -24.637                 11.433                 -6.198
 CID2   Fr= 1--     -10.755                  1.621                -10.752
 Raman3 Fr= 1--       4.581                 14.108                  1.153
 ROA3   Fr= 1--    -129.485                 57.336                -49.041
 CID3   Fr= 1--     -28.263                  4.064                -42.539
 RC180  Fr= 1--       0.396                  0.687                  0.392
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.13     0.07   0.02   0.00    -0.02   0.02  -0.03
     2   6     0.01   0.02   0.15    -0.05  -0.04   0.08    -0.02   0.05  -0.00
     3   6     0.02  -0.01   0.05    -0.11  -0.05  -0.02    -0.00  -0.04  -0.01
     4   6    -0.02   0.04   0.02     0.03  -0.07  -0.04    -0.02   0.03   0.03
     5   6    -0.02  -0.02  -0.04     0.02   0.03  -0.05     0.18  -0.02  -0.03
     6   1     0.43   0.21   0.03     0.06   0.15   0.01     0.13   0.13   0.02
     7   1    -0.38  -0.27  -0.07     0.41   0.45   0.01     0.00  -0.04  -0.00
     8   8    -0.01  -0.01  -0.00     0.01   0.02   0.00    -0.03  -0.01  -0.00
     9   1    -0.11  -0.10   0.09    -0.37  -0.02   0.08    -0.59  -0.04   0.09
    10   1     0.35   0.10  -0.05     0.35   0.11  -0.07    -0.60   0.03   0.11
    11   1     0.13   0.05   0.12    -0.23   0.25   0.11     0.14  -0.06  -0.00
    12   1    -0.11  -0.25  -0.10     0.14  -0.08   0.00     0.11  -0.17  -0.04
    13   6     0.00  -0.02  -0.08     0.02   0.03  -0.02    -0.00  -0.04   0.03
    14   1     0.10   0.09   0.15    -0.21  -0.19   0.07    -0.28   0.11  -0.00
    15   1    -0.28   0.13  -0.06    -0.07  -0.04  -0.01     0.11   0.03   0.03
    16   1     0.00   0.07   0.15     0.09  -0.02   0.07    -0.11   0.04  -0.05
    17   1     0.10  -0.08   0.15    -0.08  -0.03   0.05     0.07   0.02  -0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1306.2423              1322.2091              1349.7942
 Red. masses --      1.3296                 1.3833                 1.3208
 Frc consts  --      1.3366                 1.4248                 1.4178
 IR Inten    --      2.2960                 3.5079                 2.0346
 RamAct Fr= 1--      2.6581                 0.6595                 4.7137
  Dep-P Fr= 1--      0.7480                 0.7500                 0.7496
  Dep-U Fr= 1--      0.8558                 0.8571                 0.8569
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3791                 0.0942                 0.6732
 AlphaG Fr= 1--     -0.0040                 0.0001                -0.0031
 Gamma2 Fr= 1--     -2.9083                -0.0495                -0.7134
 Delta2 Fr= 1--     -0.9112                -0.5306                 0.9260
 Raman1 Fr= 1--      10.632                  2.638                 18.855
 ROA1   Fr= 1--    -308.357                -21.737                -38.850
 CID1   Fr= 1--     -29.002                 -8.239                 -2.060
 Raman2 Fr= 1--       4.550                  1.131                  8.078
 ROA2   Fr= 1--     -62.510                  3.056                -24.529
 CID2   Fr= 1--     -13.739                  2.703                 -3.036
 Raman3 Fr= 1--       9.100                  2.261                 16.156
 ROA3   Fr= 1--    -308.357                -21.737                -38.850
 CID3   Fr= 1--     -33.887                 -9.613                 -2.405
 RC180  Fr= 1--       0.712                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.02    -0.11   0.08   0.05    -0.01   0.05  -0.03
     2   6     0.01  -0.01  -0.06    -0.02   0.05   0.02    -0.04  -0.14   0.00
     3   6    -0.09  -0.10   0.03    -0.01  -0.07  -0.03    -0.01  -0.02  -0.01
     4   6    -0.00   0.02   0.03    -0.02   0.04  -0.01     0.00  -0.02   0.01
     5   6    -0.03  -0.01   0.01    -0.01  -0.02   0.01     0.01   0.03   0.03
     6   1     0.50   0.41   0.07    -0.07  -0.00   0.01     0.00   0.07   0.01
     7   1     0.15   0.21  -0.03     0.29   0.14   0.04     0.06   0.08  -0.03
     8   8     0.02   0.01  -0.01     0.01  -0.00   0.00     0.00   0.01  -0.00
     9   1     0.24   0.01  -0.04     0.07  -0.01  -0.01     0.15   0.06  -0.02
    10   1    -0.10  -0.04   0.01     0.06  -0.02   0.00    -0.15  -0.08   0.02
    11   1     0.35  -0.14   0.01     0.40  -0.31  -0.11    -0.05   0.11   0.04
    12   1    -0.44   0.24   0.06     0.47  -0.27  -0.04     0.23  -0.27  -0.06
    13   6    -0.01   0.01   0.02    -0.00  -0.02  -0.05     0.01   0.04  -0.01
    14   1     0.04   0.02  -0.06     0.41  -0.27   0.00     0.24   0.81   0.06
    15   1     0.05  -0.03   0.01    -0.05   0.06  -0.03    -0.04  -0.14  -0.02
    16   1     0.02  -0.04  -0.05     0.04   0.01   0.09     0.08  -0.05  -0.03
    17   1    -0.02   0.03  -0.06     0.12  -0.03   0.09    -0.08  -0.03   0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1386.8413              1416.8470              1450.1610
 Red. masses --      1.5337                 1.2493                 1.0910
 Frc consts  --      1.7380                 1.4776                 1.3517
 IR Inten    --      4.6972                 4.0681                16.6473
 RamAct Fr= 1--      2.7229                 0.0562                 1.4016
  Dep-P Fr= 1--      0.7355                 0.3206                 0.7301
  Dep-U Fr= 1--      0.8476                 0.4856                 0.8440
 Alpha2 Fr= 1--      0.0007                 0.0005                 0.0005
 Beta2  Fr= 1--      0.3847                 0.0046                 0.1972
 AlphaG Fr= 1--     -0.0012                 0.0060                -0.0053
 Gamma2 Fr= 1--     -0.6357                -0.0213                -0.2856
 Delta2 Fr= 1--      0.0892                 0.0285                 0.1537
 Raman1 Fr= 1--      10.892                  0.225                  5.606
 ROA1   Fr= 1--     -58.172                 -1.137                -22.502
 CID1   Fr= 1--      -5.341                 -5.056                 -4.014
 Raman2 Fr= 1--       4.616                  0.055                  2.366
 ROA2   Fr= 1--     -15.971                 -0.740                 -8.085
 CID2   Fr= 1--      -3.460                -13.544                 -3.417
 Raman3 Fr= 1--       9.232                  0.109                  4.732
 ROA3   Fr= 1--     -58.172                 -1.137                -22.502
 CID3   Fr= 1--      -6.301                -10.413                 -4.755
 RC180  Fr= 1--       0.695                 -0.029                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.04   0.01     0.00  -0.01  -0.01    -0.01  -0.00  -0.00
     2   6    -0.18   0.03  -0.01     0.02  -0.01   0.01     0.02  -0.01   0.00
     3   6    -0.01   0.02  -0.00    -0.00   0.01   0.00     0.02  -0.02   0.00
     4   6     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.01   0.01
     5   6     0.07  -0.01   0.02     0.00  -0.00  -0.00    -0.01  -0.07   0.02
     6   1     0.04  -0.04  -0.03     0.01   0.00  -0.00    -0.18   0.18   0.11
     7   1    -0.02  -0.05   0.05    -0.03  -0.01  -0.00    -0.11   0.12  -0.22
     8   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.14   0.10  -0.10    -0.02   0.02  -0.03    -0.05   0.35  -0.54
    10   1    -0.22   0.08   0.09     0.00   0.04   0.01     0.04   0.60   0.22
    11   1    -0.19   0.10   0.00    -0.03   0.01  -0.00     0.03   0.00   0.04
    12   1    -0.26   0.18   0.06    -0.03  -0.00  -0.00     0.06   0.02  -0.01
    13   6     0.04  -0.00  -0.05    -0.13   0.04  -0.04     0.00  -0.00   0.00
    14   1     0.78  -0.15  -0.00    -0.06   0.01   0.01    -0.05   0.02   0.00
    15   1    -0.05  -0.00  -0.04     0.56  -0.13  -0.05    -0.01  -0.01   0.00
    16   1     0.09   0.01   0.14     0.38  -0.33   0.26    -0.04   0.03  -0.01
    17   1     0.06  -0.08   0.14     0.48   0.08   0.28    -0.04  -0.01  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1453.9407              1496.2972              1499.7307
 Red. masses --      1.0894                 1.0556                 1.0530
 Frc consts  --      1.3569                 1.3925                 1.3954
 IR Inten    --      3.3123                 1.9298                 5.6881
 RamAct Fr= 1--      7.8930                 2.5086                 3.5355
  Dep-P Fr= 1--      0.6622                 0.7135                 0.6837
  Dep-U Fr= 1--      0.7967                 0.8328                 0.8121
 Alpha2 Fr= 1--      0.0124                 0.0016                 0.0041
 Beta2  Fr= 1--      1.0481                 0.3482                 0.4786
 AlphaG Fr= 1--     -0.0656                -0.0095                -0.0014
 Gamma2 Fr= 1--      1.0168                -0.0669                 0.1457
 Delta2 Fr= 1--     -0.5661                -0.1867                -0.6497
 Raman1 Fr= 1--      31.572                 10.035                 14.142
 ROA1   Fr= 1--      79.499                -12.394                 -6.803
 CID1   Fr= 1--       2.518                 -1.235                 -0.481
 Raman2 Fr= 1--      12.577                  4.178                  5.743
 ROA2   Fr= 1--      28.932                 -0.111                  8.695
 CID2   Fr= 1--       2.300                 -0.027                  1.514
 Raman3 Fr= 1--      25.155                  8.357                 11.485
 ROA3   Fr= 1--      79.499                -12.394                 -6.803
 CID3   Fr= 1--       3.160                 -1.483                 -0.592
 RC180  Fr= 1--       0.593                  0.666                  0.624
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.01     0.01   0.02   0.01     0.02   0.02   0.02
     2   6     0.02  -0.01  -0.00     0.00  -0.03  -0.01     0.02   0.01  -0.02
     3   6    -0.06   0.04  -0.02    -0.01   0.00  -0.00    -0.01   0.00   0.00
     4   6    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.03   0.01    -0.00   0.00   0.00    -0.01  -0.00   0.00
     6   1     0.42  -0.40  -0.26     0.03  -0.02  -0.02     0.03  -0.02  -0.02
     7   1     0.27  -0.28   0.51     0.03  -0.01   0.04     0.01  -0.02   0.03
     8   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   1    -0.02   0.14  -0.22     0.02   0.03  -0.03     0.02   0.00  -0.01
    10   1     0.03   0.23   0.09    -0.01   0.03   0.01     0.00   0.00   0.00
    11   1     0.07   0.03   0.11    -0.06  -0.02  -0.14    -0.06  -0.09  -0.25
    12   1     0.10   0.07  -0.03    -0.07  -0.14   0.03    -0.16  -0.21   0.05
    13   6    -0.00   0.00   0.01    -0.01  -0.05  -0.02     0.02   0.02  -0.04
    14   1    -0.06   0.06   0.00    -0.01   0.07  -0.00    -0.08  -0.01  -0.02
    15   1    -0.01  -0.03   0.00     0.26   0.61   0.03     0.28  -0.32  -0.05
    16   1    -0.01  -0.00  -0.04     0.09   0.10   0.55    -0.27   0.37   0.19
    17   1    -0.01   0.00  -0.00    -0.26   0.03  -0.33    -0.31  -0.31   0.47
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1505.1046              1816.0933              2998.1861
 Red. masses --      1.0821                12.5633                 1.0812
 Frc consts  --      1.4442                24.4134                 5.7261
 IR Inten    --      7.6336               270.7608                 5.8995
 RamAct Fr= 1--      6.5019                19.0913               196.5066
  Dep-P Fr= 1--      0.7467                 0.4588                 0.1889
  Dep-U Fr= 1--      0.8550                 0.6290                 0.3178
 Alpha2 Fr= 1--      0.0004                 0.1129                 2.7476
 Beta2  Fr= 1--      0.9265                 2.0015                10.4091
 AlphaG Fr= 1--     -0.0022                -0.4356                 1.0041
 Gamma2 Fr= 1--      0.0006                -3.8116                -8.3187
 Delta2 Fr= 1--      0.9340                -0.9925                -6.3402
 Raman1 Fr= 1--      26.007                 76.365                786.026
 ROA1   Fr= 1--      29.949               -397.671              -1001.485
 CID1   Fr= 1--       1.152                 -5.207                 -1.274
 Raman2 Fr= 1--      11.118                 24.018                124.909
 ROA2   Fr= 1--      -7.457                -83.537               -148.928
 CID2   Fr= 1--      -0.671                 -3.478                 -1.192
 Raman3 Fr= 1--      22.235                 48.035                249.818
 ROA3   Fr= 1--      29.949               -397.671              -1001.485
 CID3   Fr= 1--       1.347                 -8.279                 -4.009
 RC180  Fr= 1--       0.710                  0.258                 -0.364
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.03    -0.02  -0.01   0.00     0.00  -0.00   0.02
     2   6    -0.01  -0.01  -0.01    -0.03  -0.00  -0.00     0.00   0.00  -0.07
     3   6     0.01  -0.01  -0.00    -0.04  -0.02   0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00     0.76   0.30  -0.03    -0.00   0.00   0.00
     5   6     0.00   0.01  -0.00    -0.04  -0.02   0.00     0.00  -0.01   0.03
     6   1    -0.04   0.04   0.03     0.02   0.03  -0.00     0.00   0.00  -0.00
     7   1    -0.02   0.02  -0.06     0.10   0.11  -0.01    -0.01   0.01   0.01
     8   8     0.00   0.00  -0.00    -0.49  -0.20   0.02     0.00  -0.00  -0.00
     9   1     0.02  -0.04   0.07     0.15  -0.01  -0.00     0.01   0.01   0.02
    10   1    -0.03  -0.09  -0.03     0.02  -0.01   0.00    -0.06   0.11  -0.33
    11   1     0.21   0.15   0.55    -0.02  -0.02   0.01     0.01   0.01  -0.00
    12   1     0.33   0.51  -0.11     0.03   0.01  -0.01    -0.04  -0.01  -0.20
    13   6     0.01  -0.01  -0.02     0.00  -0.00   0.00    -0.00   0.00   0.01
    14   1    -0.00   0.02  -0.01     0.04   0.01   0.00    -0.01  -0.05   0.90
    15   1     0.21   0.02  -0.02    -0.00  -0.00   0.00    -0.00   0.01  -0.10
    16   1    -0.08   0.18   0.25    -0.00   0.00   0.00     0.02   0.03  -0.01
    17   1    -0.19  -0.13   0.14    -0.00  -0.00   0.00     0.01  -0.04  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3015.0734              3022.2460              3027.8181
 Red. masses --      1.0698                 1.0426                 1.0652
 Frc consts  --      5.7302                 5.6107                 5.7537
 IR Inten    --     12.0131                16.1487                20.5116
 RamAct Fr= 1--     16.8732                57.4401               304.4993
  Dep-P Fr= 1--      0.4875                 0.0532                 0.0205
  Dep-U Fr= 1--      0.6555                 0.1011                 0.0402
 Alpha2 Fr= 1--      0.0882                 1.1259                 6.4497
 Beta2  Fr= 1--      1.8434                 0.9676                 2.0378
 AlphaG Fr= 1--      0.1397                -0.0101                 1.1466
 Gamma2 Fr= 1--     12.5928                -1.1401                -8.5914
 Delta2 Fr= 1--     10.6965                 0.2315                -1.2238
 Raman1 Fr= 1--      67.493                229.760               1217.997
 ROA1   Fr= 1--    1551.196               -102.041               -863.938
 CID1   Fr= 1--      22.983                 -0.444                 -0.709
 Raman2 Fr= 1--      22.121                 11.611                 24.454
 ROA2   Fr= 1--     216.655                -29.215               -196.403
 CID2   Fr= 1--       9.794                 -2.516                 -8.032
 Raman3 Fr= 1--      44.241                 23.222                 48.907
 ROA3   Fr= 1--    1551.196               -102.041               -863.938
 CID3   Fr= 1--      35.062                 -4.394                -17.665
 RC180  Fr= 1--       0.311                 -0.798                 -0.920
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.02     0.01   0.01   0.03    -0.02  -0.01  -0.04
     2   6    -0.00   0.00  -0.02     0.00  -0.00   0.01     0.00   0.00  -0.02
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.01  -0.02   0.04
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.01   0.04  -0.06     0.00  -0.00   0.00    -0.00   0.01  -0.01
     6   1     0.01  -0.02   0.05     0.03  -0.05   0.14    -0.11   0.17  -0.50
     7   1    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.05   0.04   0.07
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   1    -0.02  -0.17  -0.15     0.00   0.01   0.01    -0.01  -0.05  -0.04
    10   1     0.13  -0.27   0.82    -0.00   0.00  -0.01     0.03  -0.07   0.20
    11   1    -0.02  -0.04   0.03    -0.06  -0.09   0.06     0.07   0.13  -0.09
    12   1    -0.05  -0.01  -0.28    -0.07  -0.01  -0.39     0.11   0.03   0.61
    13   6     0.00  -0.00   0.01    -0.04   0.01  -0.02    -0.02   0.00  -0.01
    14   1    -0.00  -0.02   0.27    -0.00   0.00  -0.06    -0.00  -0.01   0.22
    15   1     0.00   0.01  -0.11    -0.00  -0.04   0.61     0.00  -0.02   0.24
    16   1    -0.02  -0.02   0.01     0.31   0.34  -0.14     0.17   0.19  -0.07
    17   1    -0.01   0.04   0.02     0.12  -0.39  -0.18     0.07  -0.22  -0.10
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3033.7885              3081.9646              3088.8540
 Red. masses --      1.0647                 1.1002                 1.0966
 Frc consts  --      5.7735                 6.1571                 6.1645
 IR Inten    --     38.6328                20.2723                52.7275
 RamAct Fr= 1--     24.3222                27.1384               134.5091
  Dep-P Fr= 1--      0.6677                 0.7382                 0.3344
  Dep-U Fr= 1--      0.8008                 0.8494                 0.5012
 Alpha2 Fr= 1--      0.0355                 0.0055                 1.2413
 Beta2  Fr= 1--      3.2461                 3.8418                11.2359
 AlphaG Fr= 1--      0.0972                -0.0275                -0.8675
 Gamma2 Fr= 1--     -1.4500               -14.0423                 6.8222
 Delta2 Fr= 1--     -6.8510                -9.2644                 2.4415
 Raman1 Fr= 1--      97.289                108.554                538.036
 ROA1   Fr= 1--    -358.428              -1644.522                733.062
 CID1   Fr= 1--      -3.684                -15.149                  1.362
 Raman2 Fr= 1--      38.953                 46.101                134.830
 ROA2   Fr= 1--      20.009               -262.900                144.202
 CID2   Fr= 1--       0.514                 -5.703                  1.070
 Raman3 Fr= 1--      77.906                 92.202                269.661
 ROA3   Fr= 1--    -358.428              -1644.522                733.062
 CID3   Fr= 1--      -4.601                -17.836                  2.718
 RC180  Fr= 1--       0.602                  0.699                  0.002
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.03    -0.01  -0.02   0.02    -0.03  -0.05   0.05
     2   6     0.00   0.00  -0.01    -0.00   0.00  -0.01    -0.00  -0.00   0.01
     3   6    -0.03   0.03  -0.04     0.00  -0.00   0.00     0.01  -0.01  -0.01
     4   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.01  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.01
     6   1     0.16  -0.24   0.71    -0.01   0.01  -0.03    -0.01   0.02  -0.05
     7   1     0.14  -0.14  -0.19    -0.02   0.02   0.03    -0.10   0.10   0.12
     8   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     9   1    -0.00  -0.03  -0.03    -0.00  -0.05  -0.04     0.01   0.08   0.06
    10   1     0.01  -0.03   0.08    -0.00  -0.00   0.00     0.00  -0.00   0.01
    11   1     0.12   0.21  -0.13     0.16   0.27  -0.15     0.37   0.65  -0.36
    12   1     0.08   0.02   0.45    -0.02  -0.01  -0.08    -0.05  -0.02  -0.26
    13   6    -0.01   0.00   0.00     0.04   0.02  -0.08    -0.02  -0.03   0.02
    14   1    -0.00  -0.01   0.14     0.00  -0.01   0.09     0.00   0.01  -0.11
    15   1     0.00  -0.00   0.05     0.01  -0.05   0.67    -0.01   0.01  -0.20
    16   1     0.05   0.06  -0.02    -0.37  -0.39   0.14     0.23   0.24  -0.09
    17   1     0.02  -0.08  -0.03    -0.07   0.26   0.09    -0.03   0.08   0.04
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3089.5449              3102.4258              3103.9334
 Red. masses --      1.1014                 1.0926                 1.0949
 Frc consts  --      6.1939                 6.1961                 6.2149
 IR Inten    --     18.5267                13.5962                13.9656
 RamAct Fr= 1--     68.8276               104.4585                96.7733
  Dep-P Fr= 1--      0.6244                 0.2748                 0.4086
  Dep-U Fr= 1--      0.7688                 0.4312                 0.5802
 Alpha2 Fr= 1--      0.1576                 1.1536                 0.6948
 Beta2  Fr= 1--      8.8192                 7.5066                 9.3580
 AlphaG Fr= 1--     -0.2805                -0.7878                -0.4893
 Gamma2 Fr= 1--     -1.7946                 6.1092                14.0852
 Delta2 Fr= 1--      1.5720                -1.6174                 8.8187
 Raman1 Fr= 1--     275.310                417.834                387.093
 ROA1   Fr= 1--    -121.976                534.729               1634.380
 CID1   Fr= 1--      -0.443                  1.280                  4.222
 Raman2 Fr= 1--     105.831                 90.079                112.296
 ROA2   Fr= 1--     -55.646                159.561                267.495
 CID2   Fr= 1--      -0.526                  1.771                  2.382
 Raman3 Fr= 1--     211.662                180.158                224.592
 ROA3   Fr= 1--    -121.976                534.729               1634.380
 CID3   Fr= 1--      -0.576                  2.968                  7.277
 RC180  Fr= 1--       0.538                 -0.138                  0.160
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.01     0.00   0.00  -0.01     0.00   0.01  -0.02
     2   6    -0.00  -0.00  -0.01     0.00   0.00  -0.01    -0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.04  -0.04  -0.07
     4   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.01  -0.06  -0.06     0.00   0.00   0.00
     6   1     0.00  -0.00   0.01     0.01  -0.01   0.02     0.07  -0.10   0.24
     7   1     0.04  -0.03  -0.04    -0.01   0.01   0.01    -0.51   0.51   0.60
     8   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1    -0.00  -0.05  -0.03     0.07   0.78   0.55    -0.00  -0.04  -0.03
    10   1    -0.00   0.00  -0.01     0.03  -0.08   0.20    -0.00  -0.00   0.00
    11   1    -0.09  -0.16   0.09    -0.03  -0.05   0.03    -0.06  -0.11   0.06
    12   1     0.01   0.01   0.08     0.01   0.00   0.03     0.03   0.01   0.13
    13   6    -0.01  -0.08  -0.03     0.00  -0.00  -0.01     0.00  -0.00  -0.00
    14   1    -0.00  -0.00   0.06    -0.00  -0.01   0.09    -0.00  -0.00   0.02
    15   1    -0.00  -0.03   0.19     0.00  -0.01   0.07     0.00  -0.00   0.02
    16   1     0.34   0.34  -0.15    -0.03  -0.03   0.01    -0.00  -0.00   0.00
    17   1    -0.23   0.70   0.31    -0.02   0.05   0.02    -0.00   0.01   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Molecular mass:    98.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   331.66288 924.196891179.12879
           X            0.99943  -0.03343   0.00480
           Y            0.03344   0.99944  -0.00209
           Z           -0.00472   0.00225   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.26115     0.09372     0.07346
 Rotational constants (GHZ):           5.44149     1.95277     1.53057
 Zero-point vibrational energy     390822.0 (Joules/Mol)
                                   93.40870 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    123.68   247.59   347.64   405.47   594.38
          (Kelvin)            664.11   703.94   776.35   842.94  1048.19
                             1169.75  1218.35  1284.83  1350.94  1371.26
                             1440.27  1449.96  1561.95  1654.45  1671.44
                             1688.72  1761.43  1806.29  1826.57  1879.39
                             1902.36  1942.05  1995.36  2038.53  2086.46
                             2091.90  2152.84  2157.78  2165.51  2612.95
                             4313.72  4338.02  4348.34  4356.35  4364.94
                             4434.26  4444.17  4445.17  4463.70  4465.87
 
 Zero-point correction=                           0.148856 (Hartree/Particle)
 Thermal correction to Energy=                    0.155806
 Thermal correction to Enthalpy=                  0.156750
 Thermal correction to Gibbs Free Energy=         0.117972
 Sum of electronic and zero-point Energies=           -309.886564
 Sum of electronic and thermal Energies=              -309.879614
 Sum of electronic and thermal Enthalpies=            -309.878670
 Sum of electronic and thermal Free Energies=         -309.917447
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   97.770             26.230             81.615
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.660
 Rotational               0.889              2.981             27.382
 Vibrational             95.992             20.268             14.572
 Vibration     1          0.601              1.959              3.750
 Vibration     2          0.626              1.877              2.413
 Vibration     3          0.658              1.777              1.791
 Vibration     4          0.681              1.707              1.523
 Vibration     5          0.777              1.442              0.916
 Vibration     6          0.819              1.335              0.762
 Vibration     7          0.845              1.274              0.686
 Vibration     8          0.895              1.163              0.566
 Vibration     9          0.943              1.062              0.475
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.545147D-54        -54.263487       -124.946295
 Total V=0       0.160535D+15         14.205569         32.709531
 Vib (Bot)       0.663556D-67        -67.178123       -154.683344
 Vib (Bot)    1  0.239341D+01          0.379017          0.872718
 Vib (Bot)    2  0.117031D+01          0.068300          0.157266
 Vib (Bot)    3  0.810930D+00         -0.091017         -0.209574
 Vib (Bot)    4  0.681569D+00         -0.166490         -0.383358
 Vib (Bot)    5  0.427264D+00         -0.369303         -0.850353
 Vib (Bot)    6  0.368006D+00         -0.434145         -0.999655
 Vib (Bot)    7  0.339106D+00         -0.469665         -1.081443
 Vib (Bot)    8  0.293737D+00         -0.532041         -1.225071
 Vib (Bot)    9  0.258564D+00         -0.587432         -1.352613
 Vib (V=0)       0.195404D+02          1.290933          2.972483
 Vib (V=0)    1  0.294508D+01          0.469097          1.080135
 Vib (V=0)    2  0.177264D+01          0.248621          0.572471
 Vib (V=0)    3  0.145268D+01          0.162171          0.373413
 Vib (V=0)    4  0.134530D+01          0.128820          0.296619
 Vib (V=0)    5  0.115769D+01          0.063592          0.146426
 Vib (V=0)    6  0.112083D+01          0.049539          0.114069
 Vib (V=0)    7  0.110415D+01          0.043027          0.099073
 Vib (V=0)    8  0.107990D+01          0.033383          0.076866
 Vib (V=0)    9  0.106290D+01          0.026492          0.061000
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.381750D+08          7.581779         17.457692
 Rotational      0.215207D+06          5.332857         12.279357
 
                                                          ROA calculations.
                                                             IR Spectrum
 
 3333333332                                               1          11111 11111111111  1  11                                        
 1100000009                                               8          55444 43333222111  0  0099 8 88   7     55 4 4 4    2 2 1       
 0098832219                                               1          00955 18520752765  8  0053 9 41   2     84 8 6 1    8 4 7   8   
 4209248258                                               6          50640 77026054420  6  8139 3 73   9     60 9 2 3    2 2 2   6   
 
 XXXXXXXXXX                                               X          XXXXX XXXXXXXXXXX  X  XXXX X XX   X     XX X X X    X X X   X   
    X XX                                                  X                         X                                                
    X X                                                   X                         X                                                
    X                                                     X                         X                                                
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007445    0.000005124   -0.000000213
      2        6          -0.000000856   -0.000063105   -0.000010563
      3        6          -0.000009791    0.000018613    0.000004756
      4        6           0.000014744   -0.000002382   -0.000007730
      5        6          -0.000004478    0.000013509    0.000009179
      6        1           0.000001435   -0.000000762    0.000002438
      7        1          -0.000002099   -0.000002148    0.000002827
      8        8          -0.000000773   -0.000002159   -0.000001080
      9        1           0.000002619    0.000001002   -0.000003367
     10        1           0.000002731    0.000003498   -0.000001570
     11        1          -0.000004277    0.000003381    0.000003465
     12        1          -0.000002748    0.000009876    0.000004963
     13        6           0.000001156    0.000004970    0.000003764
     14        1           0.000005025    0.000001037   -0.000000318
     15        1          -0.000004602    0.000002223   -0.000004485
     16        1          -0.000006729    0.000004905    0.000000035
     17        1           0.000001197    0.000002417   -0.000002102
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000063105 RMS     0.000010525
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.855743D+02  0.204427D+00  0.286714D+00
      2   0.204427D+00  0.740811D+02 -0.441347D+00
      3   0.286714D+00 -0.441347D+00  0.606646D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.176554D+01 -0.726798D+00 -0.392692D+01
      2   0.619042D+00  0.262446D+00  0.199575D+02
      3   0.664385D+01 -0.137678D+02 -0.587047D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.316806D+02 -0.203789D+02 -0.497803D+00
      2  -0.167554D+02  0.189058D+02 -0.455897D+01
      3  -0.149252D+02  0.147313D+01  0.505677D+01
      4  -0.104877D+02  0.262429D+02  0.164388D+01
      5   0.362212D+01 -0.367653D-01  0.438865D+02
      6  -0.131722D+01 -0.351995D+01  0.928069D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.259464D+01 -0.924566D+00  0.980010D+00 -0.110350D+00 -0.418815D+01
      2  -0.924566D+00 -0.350197D+01  0.755347D-01 -0.418815D+01 -0.470892D+00
      3   0.980010D+00  0.755347D-01 -0.170192D+01  0.191602D+00  0.229526D+01
                 6             7             8             9            10 
      1   0.191602D+00  0.149822D+01  0.429031D+00 -0.208968D+01 -0.923583D+00
      2   0.229526D+01  0.429031D+00  0.315501D+01 -0.921044D+00  0.229791D+01
      3  -0.545896D+00 -0.208968D+01 -0.921044D+00 -0.630665D+01 -0.116034D+01
                11            12            13            14            15 
      1   0.229791D+01 -0.116034D+01  0.199799D+01  0.294238D+01  0.286210D+00
      2   0.338194D+01  0.250654D+00  0.294238D+01 -0.283541D+01 -0.146468D+01
      3   0.250654D+00  0.790878D-01  0.286210D+00 -0.146468D+01 -0.875520D+00
                16            17            18            19            20 
      1  -0.205568D+01  0.351946D+00  0.641603D+00 -0.161282D+01 -0.166442D+01
      2   0.351946D+00 -0.169886D+01 -0.926540D+00 -0.166442D+01  0.439533D+01
      3   0.641603D+00 -0.926540D+00  0.916707D+01 -0.109417D+01  0.537940D+00
                21            22            23            24            25 
      1  -0.109417D+01 -0.175958D+01  0.229628D+01  0.709553D+00 -0.118344D+01
      2   0.537940D+00  0.229628D+01  0.135165D+01 -0.696146D+00  0.156859D+01
      3   0.221385D+01  0.709553D+00 -0.696146D+00 -0.217926D+01  0.243887D+01
                26            27            28            29            30 
      1   0.156859D+01  0.243887D+01  0.540240D+01  0.478425D+01  0.378009D-01
      2  -0.623747D-01 -0.325740D+01  0.478425D+01 -0.266461D+01 -0.273097D+00
      3  -0.325740D+01  0.337824D+01  0.378009D-01 -0.273097D+00 -0.171574D-01
                31            32            33            34            35 
      1   0.348284D+01  0.209489D+00 -0.555800D+00  0.640758D+00 -0.860629D+00
      2   0.209489D+00 -0.263082D+01 -0.274531D+00 -0.860629D+00 -0.413560D+00
      3  -0.555800D+00 -0.274531D+00  0.122558D+00 -0.747594D-01  0.926320D-01
                36            37            38            39            40 
      1  -0.747594D-01  0.105499D+00 -0.332246D+01  0.108197D+00 -0.203787D+01
      2   0.926320D-01 -0.332246D+01  0.104531D+01  0.566516D+00 -0.572730D+00
      3  -0.794753D-02  0.108197D+00  0.566516D+00 -0.305245D+00  0.456262D+00
                41            42            43            44            45 
      1  -0.572730D+00  0.456262D+00 -0.111679D+01  0.130425D+01 -0.911610D+00
      2   0.505227D+01  0.161704D+01  0.130425D+01  0.230077D+01  0.334906D+01
      3   0.161704D+01  0.278051D+01 -0.911610D+00  0.334906D+01 -0.412276D+01
                46            47            48            49            50 
      1  -0.775953D+00  0.110481D+01 -0.127488D+01  0.817414D+00 -0.838763D+00
      2   0.110481D+01 -0.151270D+01  0.606754D+00 -0.838763D+00  0.208087D+01
      3  -0.127488D+01  0.606754D+00 -0.123243D+01  0.352680D+00 -0.156645D+01
                51            52            53            54            55 
      1   0.352680D+00 -0.224047D+01  0.607543D+00 -0.191921D+01 -0.368519D+01
      2  -0.156645D+01  0.607543D+00 -0.311276D+01  0.307995D+01  0.247138D+01
      3   0.176542D+01 -0.191921D+01  0.307995D+01 -0.617960D+01  0.164680D+01
                56            57            58            59            60 
      1   0.247138D+01  0.164680D+01  0.204511D+01 -0.209867D+01 -0.763385D+00
      2  -0.322939D+01 -0.102975D+01 -0.209867D+01  0.394845D+01  0.161236D+01
      3  -0.102975D+01 -0.146417D+01 -0.763385D+00  0.161236D+01  0.153735D+01
                61            62            63            64            65 
      1   0.266495D+01 -0.166936D+01 -0.181696D+01 -0.153940D+02 -0.437087D+01
      2  -0.166936D+01  0.267400D+01  0.237941D+01 -0.437087D+01 -0.193560D+01
      3  -0.181696D+01  0.237941D+01  0.214435D+01  0.358858D+00  0.504588D-01
                66            67            68            69            70 
      1   0.358858D+00 -0.359050D+01 -0.418869D+01  0.126077D+00  0.407667D-01
      2   0.504588D-01 -0.418869D+01 -0.289596D+01  0.135128D+00  0.250943D+00
      3  -0.196302D+01  0.126077D+00  0.135128D+00 -0.812039D+00 -0.359262D+01
                71            72            73            74            75 
      1   0.250943D+00 -0.359262D+01 -0.303339D+00 -0.822638D+00 -0.683874D+00
      2   0.191677D+00 -0.137143D+01 -0.822638D+00 -0.887984D+00 -0.282288D+00
      3  -0.137143D+01  0.316207D+00 -0.683874D+00 -0.282288D+00 -0.680190D-01
                76            77            78            79            80 
      1  -0.143146D+01 -0.461654D-01 -0.538690D-01 -0.889597D+00 -0.285277D+00
      2  -0.461654D-01 -0.755539D+01 -0.233780D+01 -0.285277D+00 -0.378973D+01
      3  -0.538690D-01 -0.233780D+01 -0.194678D+01  0.185743D+00 -0.253000D+01
                81            82            83            84            85 
      1   0.185743D+00  0.103504D+01 -0.975200D-01  0.103796D+01 -0.200203D+00
      2  -0.253000D+01 -0.975200D-01  0.173129D+00 -0.295580D+00  0.580059D+00
      3  -0.176362D+01  0.103796D+01 -0.295580D+00  0.791068D+00 -0.293612D+00
                86            87            88            89            90 
      1   0.580059D+00 -0.293612D+00  0.266362D+01 -0.570843D+00  0.857129D+00
      2  -0.242397D+01  0.147461D+01 -0.570843D+00  0.260391D+01 -0.296216D+01
      3   0.147461D+01 -0.161987D+01  0.857129D+00 -0.296216D+01  0.609921D+01
                91            92            93            94            95 
      1   0.247641D+01  0.240605D+01 -0.819035D+00  0.221590D+01  0.278650D+01
      2   0.240605D+01  0.325400D+01 -0.509994D+00  0.278650D+01  0.664847D+01
      3  -0.819035D+00 -0.509994D+00  0.877374D+00 -0.493730D+00 -0.150825D+01
                96            97            98            99           100 
      1  -0.493730D+00 -0.153990D+01 -0.975983D+00  0.107648D+01  0.477283D+00
      2  -0.150825D+01 -0.975983D+00 -0.271864D+01  0.157212D+01  0.300552D+00
      3   0.121854D+01  0.107648D+01  0.157212D+01 -0.601475D+00  0.119567D+01
               101           102           103           104           105 
      1   0.300552D+00  0.119567D+01  0.635102D-01  0.809379D+00  0.934750D-01
      2   0.705704D+00  0.377635D+00  0.809379D+00  0.660836D+00  0.829474D+00
      3   0.377635D+00  0.120678D+01  0.934750D-01  0.829474D+00  0.246030D+00
               106           107           108           109           110 
      1   0.214524D+01  0.111541D+00  0.162897D+01  0.829961D+00 -0.300531D+01
      2   0.111541D+00  0.158122D+01  0.183812D+01 -0.300531D+01 -0.353692D+01
      3   0.162897D+01  0.183812D+01  0.752138D+01  0.210570D+01 -0.140982D+00
               111           112           113           114           115 
      1   0.210570D+01 -0.310615D+01 -0.454108D+01 -0.132615D+00  0.267497D+01
      2  -0.140982D+00 -0.454108D+01  0.299351D+01  0.269010D+01 -0.337585D+00
      3  -0.565986D+00 -0.132615D+00  0.269010D+01  0.997049D+00 -0.130862D+01
               116           117           118           119           120 
      1  -0.337585D+00 -0.130862D+01  0.764474D+00 -0.294837D+00 -0.118451D+01
      2   0.269078D+01  0.112486D+01 -0.294837D+00 -0.247812D+00 -0.177363D-01
      3   0.112486D+01 -0.669413D+01 -0.118451D+01 -0.177363D-01  0.285345D+00
               121           122           123           124           125 
      1  -0.387035D+00 -0.282486D+00 -0.699280D-02 -0.175715D+01 -0.193398D-01
      2  -0.282486D+00  0.500698D+00 -0.900269D+00 -0.193398D-01 -0.127093D+01
      3  -0.699280D-02 -0.900269D+00  0.519816D+00  0.682320D+00  0.245948D+00
               126           127           128           129           130 
      1   0.682320D+00  0.490473D-01  0.198189D+00  0.749551D+00  0.164974D+00
      2   0.245948D+00  0.198189D+00  0.227517D+00 -0.153975D-01  0.753820D+00
      3  -0.949951D+01  0.749551D+00 -0.153975D-01  0.195550D+00 -0.991134D-01
               131           132           133           134           135 
      1   0.753820D+00 -0.991134D-01  0.255329D+01 -0.394632D+00  0.187860D+01
      2  -0.651376D+00  0.684763D+00 -0.394632D+00  0.122461D+01 -0.852738D+00
      3   0.684763D+00 -0.534251D+00  0.187860D+01 -0.852738D+00  0.767486D+01
               136           137           138           139           140 
      1   0.665889D+01  0.256924D+01 -0.113059D+01  0.499202D+01  0.287823D+01
      2   0.256924D+01  0.224461D+01 -0.421010D+00  0.287823D+01  0.272697D+01
      3  -0.113059D+01 -0.421010D+00  0.108989D+01 -0.526523D+00 -0.859345D+00
               141           142           143           144           145 
      1  -0.526523D+00 -0.217378D+01 -0.513651D+00  0.130491D+01  0.230120D+01
      2  -0.859345D+00 -0.513651D+00 -0.114336D+01  0.577370D+00 -0.162977D+01
      3   0.973119D+00  0.130491D+01  0.577370D+00 -0.361593D+00 -0.873149D+00
               146           147           148           149           150 
      1  -0.162977D+01 -0.873149D+00 -0.315660D+01  0.350060D+01  0.709781D+00
      2   0.208945D+01  0.520345D+00  0.350060D+01 -0.649990D+01 -0.173126D+01
      3   0.520345D+00  0.579012D+00  0.709781D+00 -0.173126D+01 -0.164677D+01
               151           152           153 
      1  -0.192501D+01  0.100346D+01  0.101884D+01
      2   0.100346D+01 -0.221176D+01 -0.143816D+01
      3   0.101884D+01 -0.143816D+01 -0.764037D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.197774D+01 -0.108540D+01  0.191866D+01 -0.106726D+00 -0.565810D+01
      2   0.120785D+01  0.219911D+01  0.610614D+00  0.243129D+01  0.307242D+01
      3   0.986379D+01 -0.511530D+00  0.134497D+01  0.668110D+01 -0.527048D+01
                 6             7             8             9            10 
      1  -0.858863D+00  0.155783D+01  0.571757D+01  0.771975D+01  0.421766D+00
      2  -0.888988D+00 -0.580952D+01 -0.253264D+01 -0.368799D+01 -0.395417D+01
      3  -0.147625D+01  0.121841D+01 -0.254546D+01 -0.238066D+01 -0.541907D+01
                11            12            13            14            15 
      1  -0.558333D+00 -0.115967D+00 -0.194212D+01  0.789087D+00 -0.185129D+01
      2   0.129218D+01  0.231706D+01  0.568584D+00 -0.116714D+01 -0.765015D+00
      3  -0.883959D+01 -0.233518D+00 -0.194685D+01  0.344570D+01  0.273324D+01
                16            17            18            19            20 
      1   0.536130D+00  0.446525D+01  0.825456D+00  0.418714D+01 -0.218874D+01
      2  -0.562501D+01  0.603082D+00  0.969037D+01  0.227851D+01 -0.186546D+01
      3  -0.121896D+01  0.273694D+01  0.138473D+01 -0.104001D+02  0.283623D+01
                21            22            23            24            25 
      1  -0.444693D+01 -0.209506D+01  0.247566D+01 -0.173877D+01 -0.138572D+01
      2  -0.168087D+01 -0.226193D+01  0.152670D+01  0.392527D+01 -0.635424D+01
      3  -0.174632D+01  0.693243D+01  0.379957D+01  0.947655D+00 -0.160205D+01
                26            27            28            29            30 
      1   0.970397D+01 -0.491646D+01 -0.519295D+01 -0.153944D+00  0.182676D+01
      2   0.593024D+01 -0.427865D+01 -0.202794D+01 -0.135998D+01 -0.907558D+01
      3   0.242179D+01 -0.876500D+00  0.344113D+01 -0.224811D+01  0.263231D+00
                31            32            33            34            35 
      1  -0.179535D+01 -0.429056D+00  0.509974D+01 -0.427878D+01  0.212841D+02
      2  -0.515838D+00 -0.587398D+00 -0.189286D+01 -0.144748D+02  0.363203D+01
      3   0.300112D+01 -0.503304D+00 -0.267660D+00 -0.183946D+00 -0.829720D+00
                36            37            38            39            40 
      1  -0.611533D+00  0.103183D+01  0.188075D+01  0.133988D+01  0.217821D+01
      2   0.506524D+00  0.838188D-02  0.688037D-01  0.414105D+01 -0.504116D+00
      3  -0.212536D+00 -0.267735D+01  0.205341D+01 -0.144179D+00  0.823161D+01
                41            42            43            44            45 
      1   0.659896D+01  0.128663D+01 -0.437693D+01  0.726575D+01 -0.575587D+01
      2   0.289273D+00 -0.215384D+01 -0.442263D+01 -0.874073D+00 -0.623831D-01
      3   0.527889D+01 -0.180692D+01  0.148028D+01 -0.304944D+01  0.206896D+01
                46            47            48            49            50 
      1   0.112726D+01 -0.234752D+01  0.275428D+01 -0.199163D+01  0.480245D+00
      2   0.154334D+01 -0.782708D+00  0.273652D+01 -0.430841D+00  0.167349D+01
      3   0.949848D+00 -0.121607D+01 -0.968971D+00  0.174598D+01  0.592506D+00
                51            52            53            54            55 
      1  -0.314608D+01  0.297462D+01 -0.472198D+01  0.102680D+02 -0.236555D+01
      2  -0.227117D+01  0.337139D+00 -0.486317D+01  0.837822D+01 -0.188309D+01
      3  -0.987466D+00 -0.313554D+01 -0.312542D+01  0.644762D+00 -0.272148D+01
                56            57            58            59            60 
      1   0.422272D+01  0.329846D+01  0.263999D+01 -0.288557D+01 -0.385346D+01
      2   0.247454D+01  0.353258D+01  0.114463D+01 -0.296770D+01 -0.279635D+01
      3  -0.243986D+01  0.107130D+01  0.273105D+01  0.120564D+01  0.373982D+00
                61            62            63            64            65 
      1   0.349652D+01 -0.368627D+01 -0.444818D+01  0.265704D+01 -0.368143D+00
      2   0.132484D+01 -0.382449D+01 -0.360825D+01  0.561490D+00  0.451539D-01
      3   0.295470D+01  0.173529D+01  0.460495D-01  0.244367D+01 -0.138999D+02
                66            67            68            69            70 
      1  -0.330846D+01  0.543243D+00  0.625330D+00 -0.399610D+01  0.172140D+01
      2   0.135802D+02  0.715915D+00  0.340307D+00  0.435891D+01  0.468528D+01
      3   0.305552D+00 -0.203199D+01 -0.752411D+01  0.359061D+00  0.103877D+01
                71            72            73            74            75 
      1  -0.463589D+01  0.590650D+00  0.785415D+00 -0.836173D+00 -0.395285D+00
      2  -0.421978D+00 -0.621718D+00  0.108017D+01 -0.430110D+00  0.529028D+00
      3   0.108067D+01 -0.826217D+00  0.588659D+00 -0.125616D+01  0.519641D+00
                76            77            78            79            80 
      1   0.135666D+01 -0.537388D+01 -0.537912D+01  0.576612D+00 -0.373791D+01
      2  -0.992660D-01 -0.628526D+00  0.241753D+00 -0.156748D+01 -0.144572D+00
      3   0.434272D+01 -0.302846D+00  0.103413D+00  0.249743D+01  0.259583D+00
                81            82            83            84            85 
      1  -0.380274D+01 -0.422592D+00  0.146544D+00  0.440706D+00  0.152781D-01
      2   0.579091D-01 -0.225583D+01  0.171383D+00  0.571781D+00  0.219544D+00
      3  -0.369587D+00 -0.173769D+01 -0.158867D+01 -0.710070D+00  0.114548D+01
                86            87            88            89            90 
      1   0.200861D+01 -0.381254D+01  0.343517D+01 -0.401899D+01  0.102203D+02
      2  -0.666258D-01  0.273811D+00 -0.197488D+01 -0.387452D+00 -0.386060D+00
      3  -0.903453D+00  0.563172D+00 -0.417247D+01  0.104163D+01 -0.154219D+01
                91            92            93            94            95 
      1   0.128374D+01  0.904453D+00 -0.219362D+01  0.112671D+01  0.258317D+01
      2  -0.919974D+00 -0.108407D+01  0.183583D+01 -0.859312D+00 -0.219852D+01
      3   0.301012D+01 -0.344770D+00 -0.978255D+00  0.441366D+01 -0.101586D+01
                96            97            98            99           100 
      1  -0.397057D+01 -0.160673D+01 -0.127404D+01  0.159799D+01 -0.139839D+01
      2   0.196256D+01  0.900441D-01  0.175371D+01 -0.117825D+01 -0.302652D-01
      3   0.216978D+00 -0.269229D+01  0.131766D+01  0.639429D+00  0.276355D+00
               101           102           103           104           105 
      1   0.715963D+00 -0.182391D+01  0.301159D-01 -0.930490D+00 -0.144275D+01
      2  -0.102552D-01  0.147566D+01 -0.168535D-01 -0.131728D+00  0.925730D-01
      3  -0.154386D+01  0.154063D+01  0.205600D+00  0.103020D+01 -0.334940D+00
               106           107           108           109           110 
      1  -0.250823D+01  0.680302D+00 -0.109792D+02 -0.762333D-01 -0.107803D+01
      2  -0.253328D+01  0.127616D+01  0.461520D+01  0.852088D+01 -0.420910D+00
      3   0.363040D+01 -0.151475D+01  0.147984D+01  0.890604D+01  0.102261D+02
               111           112           113           114           115 
      1  -0.255240D+00 -0.139990D+01  0.224395D+01 -0.512046D+00 -0.177667D+01
      2  -0.559013D+00 -0.375974D+00  0.813239D+01  0.254459D+01 -0.747303D+01
      3  -0.808183D+00  0.193663D+02 -0.685786D+01 -0.770282D+01 -0.272608D+00
               116           117           118           119           120 
      1   0.286524D+01 -0.323106D+01  0.925705D-01  0.366300D+00  0.238123D+00
      2   0.342881D+01 -0.172978D+02 -0.619527D+00 -0.402138D+00  0.100983D+01
      3  -0.793000D+01 -0.246194D+01  0.917018D+00 -0.384115D+00  0.173999D+00
               121           122           123           124           125 
      1   0.596080D+00 -0.671319D+00 -0.294060D+00 -0.162538D+00  0.340836D+01
      2   0.196750D+00 -0.130721D+01  0.401231D+00 -0.355721D+01  0.413708D+00
      3   0.217846D+01 -0.953169D+00  0.140010D+01 -0.962315D-01  0.179960D+01
               126           127           128           129           130 
      1  -0.902777D+00  0.556938D+00 -0.464878D-01  0.292106D+00  0.414624D-01
      2  -0.101136D+02  0.218802D+01 -0.222434D+00  0.190455D+01 -0.148831D+00
      3  -0.400719D+00 -0.419450D+00 -0.145230D+01 -0.264782D+00 -0.898781D+00
               131           132           133           134           135 
      1   0.205648D-01 -0.100750D+01  0.784618D+00  0.278296D+01  0.407781D+01
      2   0.146821D+01 -0.165069D+01  0.950624D+00 -0.208707D+01  0.211962D+02
      3   0.122565D+01 -0.149640D+01 -0.538494D+00 -0.355551D+01  0.152205D+01
               136           137           138           139           140 
      1   0.502635D-01 -0.676364D-01 -0.543383D+00 -0.127986D-01 -0.400491D+00
      2  -0.323077D+01 -0.147955D+01  0.486211D+01 -0.151354D+01 -0.262733D+01
      3  -0.997965D+01 -0.100316D+02  0.184999D+01 -0.813226D+01 -0.102576D+02
               141           142           143           144           145 
      1  -0.122905D+01  0.419795D+00  0.107913D+01  0.169476D+00 -0.760510D+00
      2   0.413821D+01  0.240466D+01  0.168852D+01 -0.119327D+01 -0.232467D+01
      3   0.285679D+01  0.200239D+01  0.401551D+01 -0.197310D+01  0.285584D+01
               146           147           148           149           150 
      1   0.493673D+00  0.973824D+00  0.673411D+00 -0.125635D+01 -0.362789D+01
      2   0.158611D+01  0.254241D+01  0.144980D+01 -0.482062D+01 -0.551999D+01
      3  -0.640482D+01 -0.994650D+00 -0.517474D+01  0.171126D+02  0.466045D+01
               151           152           153 
      1   0.695207D+00 -0.131953D+00 -0.104206D+01
      2   0.120863D+01 -0.369290D+01 -0.215890D+01
      3  -0.909791D+00  0.614162D+01  0.325763D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.222789D+01  0.688823D+01  0.215775D+01  0.398741D+01 -0.397739D+01
      2  -0.195750D+01 -0.133283D+02  0.172847D+01 -0.110958D+02 -0.432175D+01
      3  -0.270392D+00  0.644004D+01 -0.388623D+01  0.710834D+01  0.829914D+01
      4   0.154221D+01 -0.993113D+01  0.189771D+01 -0.985133D+01 -0.106173D+02
      5   0.273004D+01  0.315810D+01 -0.262159D+01  0.275400D+01  0.416076D+01
      6   0.360710D+01  0.191155D+01 -0.508670D+01  0.278028D+01  0.110332D+02
                 6             7             8             9            10 
      1  -0.324886D+01  0.264550D+01 -0.302792D+01  0.580788D+01 -0.110955D+02
      2   0.824464D+01  0.329537D+01  0.107332D+02  0.245554D+01  0.330061D+01
      3  -0.499578D+01 -0.594088D+01 -0.770525D+01 -0.826343D+01  0.779491D+01
      4   0.439543D+01  0.217854D+01  0.743668D+01 -0.918988D+01  0.562687D+01
      5  -0.217262D+01 -0.315904D+01 -0.454805D+01 -0.100363D+02 -0.677359D+01
      6  -0.142138D+01 -0.658494D+01 -0.384916D+01 -0.147230D+02 -0.252224D+00
                11            12            13            14            15 
      1   0.541978D+01 -0.380125D+01  0.829956D+01  0.108217D+02  0.158132D+01
      2  -0.634747D+00  0.212484D+01 -0.309216D+01 -0.589231D+01 -0.220513D+01
      3  -0.478504D+01  0.167641D+01 -0.520740D+01 -0.492934D+01  0.623814D+00
      4   0.160695D+01  0.128691D+01  0.699730D+01 -0.469494D+01 -0.194918D+01
      5   0.170859D+01 -0.112595D+01  0.981019D+00 -0.239314D+01 -0.148807D+01
      6  -0.124638D+00  0.693689D+00 -0.123689D+01 -0.656950D+00  0.113725D+01
                16            17            18            19            20 
      1  -0.857369D+01  0.235904D+01  0.868770D+01  0.898624D+00 -0.497539D+01
      2   0.270157D+01 -0.299878D+01  0.924523D+01 -0.217591D+01  0.888480D+01
      3   0.587213D+01  0.639743D+00 -0.179329D+02  0.127728D+01 -0.390941D+01
      4   0.973301D+00 -0.259094D+01 -0.128872D+01  0.298099D+01 -0.131847D+02
      5   0.278488D+01 -0.129910D+01  0.220005D+02  0.319589D+01 -0.480270D+01
      6  -0.271120D+00  0.377137D+01 -0.460352D+00 -0.481549D+01  0.338161D+01
                21            22            23            24            25 
      1   0.208714D+01  0.385181D+01 -0.528555D+01 -0.125681D+01  0.393835D+00
      2   0.210173D+01  0.456380D+00  0.104881D+02 -0.261845D+01  0.301571D+01
      3  -0.418887D+01 -0.430819D+01 -0.520254D+01  0.387526D+01 -0.340955D+01
      4  -0.370260D+01 -0.236588D+01  0.857088D+01  0.179964D+01 -0.617215D+01
      5  -0.652944D+01 -0.446751D+01  0.229625D+01  0.767364D+01 -0.703459D+01
      6   0.815673D+01  0.383714D+01 -0.405968D+01 -0.513017D+01  0.872212D+01
                26            27            28            29            30 
      1  -0.529703D+01  0.745475D+01 -0.437638D+02 -0.802254D+01 -0.217353D+00
      2  -0.278053D+01 -0.416757D+01  0.235646D+02 -0.282976D-01 -0.188094D+00
      3   0.807756D+01 -0.328719D+01  0.201991D+02  0.805084D+01  0.405446D+00
      4  -0.343197D+00  0.166647D+02 -0.238207D+02 -0.157974D+02  0.108034D+01
      5   0.120100D+02 -0.672762D+01  0.196213D+01  0.124233D+01 -0.125486D+02
      6  -0.149310D+02  0.115760D+02 -0.136013D+01 -0.511153D+00 -0.387355D+01
                31            32            33            34            35 
      1  -0.186192D+02 -0.747930D+00  0.176575D+00  0.672159D+00  0.595232D+00
      2   0.119234D+02 -0.438254D+01 -0.674575D+00 -0.875048D+00  0.749449D+00
      3   0.669578D+01  0.513047D+01  0.498001D+00  0.202889D+00 -0.134468D+01
      4  -0.673164D+01 -0.136363D+01  0.228500D+00  0.189154D+01  0.101196D+01
      5   0.205932D+01 -0.252636D-01 -0.357919D+01  0.297645D+01 -0.104494D+01
      6  -0.133976D+01  0.164081D+01 -0.343815D+01 -0.880176D+00  0.431468D+01
                36            37            38            39            40 
      1  -0.957507D+01  0.186592D+01 -0.733287D+00  0.266198D+01 -0.105998D+02
      2  -0.158136D+01  0.281212D+01 -0.210953D+01 -0.230204D+01  0.554263D+01
      3   0.111564D+02 -0.467804D+01  0.284281D+01 -0.359932D+00  0.505717D+01
      4  -0.348185D+01 -0.996495D-01  0.539844D+01 -0.346289D+00 -0.857734D+00
      5   0.168243D+01  0.375487D+00 -0.703223D+00  0.230990D+01 -0.287478D+00
      6  -0.565319D+00  0.170630D+01 -0.263164D+01  0.318803D+00 -0.150498D+01
                41            42            43            44            45 
      1   0.866783D+01  0.115412D+01  0.942905D+01 -0.820876D+00  0.138870D+02
      2  -0.102317D+02 -0.582378D+01 -0.497708D+01 -0.561860D+01 -0.869812D+01
      3   0.156382D+01  0.466966D+01 -0.445197D+01  0.643948D+01 -0.518886D+01
      4  -0.461357D+01 -0.137657D+01  0.214668D+01 -0.211129D+01  0.319551D+01
      5  -0.135696D+01 -0.150427D+01 -0.226908D+01  0.118250D+01 -0.387318D+01
      6  -0.108794D+02 -0.860471D+01  0.527626D+01 -0.145757D+02  0.104259D+02
                46            47            48            49            50 
      1   0.697469D+00  0.399194D+00  0.132846D+01  0.766954D+00 -0.689899D+01
      2  -0.922925D+00 -0.177732D+01 -0.182281D+01 -0.210961D+01  0.730390D+01
      3   0.225456D+00  0.137812D+01  0.494347D+00  0.134266D+01 -0.404915D+00
      4  -0.586990D+01  0.895575D+01 -0.524220D+01  0.516862D+01 -0.795185D+01
      5   0.556546D+01 -0.303372D+01  0.783465D+01 -0.109035D+01  0.404219D+01
      6  -0.461500D+01  0.296753D+01 -0.445088D+01  0.286452D+01 -0.778924D+01
                51            52            53            54            55 
      1   0.504539D+01  0.228371D+01  0.933815D+01 -0.121536D+02  0.761049D+01
      2  -0.428047D+01 -0.316625D+01 -0.579958D+01 -0.191903D+01  0.243520D+00
      3  -0.764919D+00  0.882538D+00 -0.353857D+01  0.140726D+02 -0.785401D+01
      4   0.508112D+01 -0.727851D+01  0.101047D+02 -0.126227D+02 -0.164794D+02
      5  -0.418683D+01  0.889351D+01 -0.915789D+01  0.168203D+02 -0.842156D+01
      6   0.991368D+01 -0.691215D+01  0.160540D+02 -0.224673D+02  0.667058D+01
                56            57            58            59            60 
      1  -0.216233D+00 -0.216774D+01  0.556082D+00 -0.710217D+01 -0.239789D+01
      2  -0.622523D+01 -0.739791D-01 -0.594710D+01  0.146596D+02  0.500045D+01
      3   0.644146D+01  0.224172D+01  0.539102D+01 -0.755740D+01 -0.260257D+01
      4   0.184682D+02  0.743844D+01  0.127250D+02 -0.172035D+02 -0.667114D+01
      5   0.562522D+01  0.774493D+01  0.410821D+01 -0.643077D+01 -0.535938D+01
      6  -0.598774D+01 -0.607601D+01 -0.491056D+01  0.923814D+01  0.849888D+01
                61            62            63            64            65 
      1  -0.274018D+01 -0.357084D+01 -0.417400D+01  0.874710D+02  0.161507D+02
      2   0.115200D+00  0.711370D+01  0.206831D+01 -0.475052D+02 -0.437189D+01
      3   0.262498D+01 -0.354287D+01  0.210569D+01 -0.399658D+02 -0.117788D+02
      4   0.107024D+02 -0.110804D+02 -0.106573D+02  0.366729D+02  0.280853D+02
      5   0.879041D+01 -0.870450D+01 -0.887408D+01 -0.318352D+01 -0.107370D+01
      6  -0.741957D+01  0.124124D+02  0.962671D+01  0.153241D+01  0.421606D+00
                66            67            68            69            70 
      1  -0.131503D+01  0.178318D+02  0.102254D+02  0.555422D-01 -0.188173D+01
      2   0.130997D+01 -0.615440D+01  0.133048D+01 -0.787033D-01  0.199358D+01
      3   0.506571D-02 -0.116774D+02 -0.115559D+02  0.231611D-01 -0.111846D+00
      4  -0.551015D+00  0.287291D+02  0.201988D+02 -0.332586D+00 -0.671908D+00
      5   0.229545D+02 -0.113827D+01 -0.668842D+00  0.712098D+01  0.242238D+02
      6   0.568068D+01  0.551515D+00 -0.718310D+00  0.674075D+01  0.546515D+01
                71            72            73            74            75 
      1   0.579371D-01  0.118829D+02  0.254484D+00 -0.164816D+01 -0.699886D+00
      2  -0.157464D+00 -0.103797D+02  0.143003D+01  0.278966D+01  0.621890D+00
      3   0.995266D-01 -0.150326D+01 -0.168452D+01 -0.114150D+01  0.779959D-01
      4  -0.336648D+00  0.861832D+01  0.151154D+01  0.790625D+01  0.254596D+01
      5   0.712838D+01 -0.238443D+01  0.676546D+00  0.163379D+01  0.231375D+01
      6   0.723684D+01 -0.693698D-01  0.261444D+01  0.128080D+01  0.517008D+00
                76            77            78            79            80 
      1   0.208687D+01 -0.233163D+02 -0.736982D+01 -0.112335D+01 -0.101417D+02
      2  -0.976066D+00  0.333952D+02  0.922710D+01  0.671898D+00  0.118779D+02
      3  -0.111080D+01 -0.100789D+02 -0.185728D+01  0.451448D+00 -0.173627D+01
      4   0.578380D+01  0.167954D+01  0.817527D+00  0.353447D+01  0.117985D+01
      5   0.132113D+01  0.121289D+01  0.679900D+00  0.217428D+01  0.748427D+00
      6   0.101145D+00  0.153127D+02  0.111218D+02 -0.881274D+00  0.140886D+02
                81            82            83            84            85 
      1  -0.964748D+01 -0.276058D+00  0.122912D-01 -0.947014D+00  0.241441D+01
      2   0.640267D+01 -0.141706D+01 -0.315342D+00  0.255256D+00 -0.235030D+01
      3   0.324481D+01  0.169312D+01  0.303051D+00  0.691758D+00 -0.641105D-01
      4   0.766200D-01 -0.268825D+01  0.317439D+01 -0.345407D+01  0.228086D+01
      5   0.110559D+01  0.761340D+00 -0.200254D+01  0.441733D+01 -0.763166D+00
      6   0.979699D+01 -0.338504D+01  0.103030D+01 -0.173419D+01  0.110543D+01
                86            87            88            89            90 
      1  -0.100036D+02  0.558128D+01 -0.300500D+01  0.106166D+02 -0.176498D+02
      2   0.952843D+01 -0.400216D+01  0.409061D+00 -0.622942D+01  0.146727D+01
      3   0.475192D+00 -0.157912D+01  0.259594D+01 -0.438713D+01  0.161825D+02
      4  -0.162218D+01  0.988758D+00 -0.547105D+01  0.135918D+01 -0.229346D+01
      5   0.103442D+01 -0.164611D+00  0.437853D+01 -0.125891D+01  0.206594D+01
      6  -0.673361D+01  0.939488D+01 -0.416979D+01  0.143742D+02 -0.201984D+02
                91            92            93            94            95 
      1   0.143543D+01 -0.307213D+01 -0.400727D+00 -0.278719D+01 -0.148961D+02
      2   0.579570D+01  0.110326D+02 -0.149836D+01  0.100382D+02  0.316283D+02
      3  -0.723112D+01 -0.796042D+01  0.189908D+01 -0.725105D+01 -0.167322D+02
      4   0.126125D+02  0.160072D+02 -0.378520D+01  0.149645D+02  0.208698D+02
      5  -0.328538D+01 -0.223474D+01  0.338005D+01 -0.211828D+01 -0.383217D+01
      6  -0.386802D+01 -0.331798D+01  0.392445D+01 -0.309735D+01 -0.887368D+01
                96            97            98            99           100 
      1   0.317241D+01 -0.597976D+00  0.573087D+01 -0.420488D+01  0.525134D+00
      2  -0.634306D+01 -0.192471D+01 -0.101055D+02  0.360642D+01 -0.247790D+01
      3   0.317065D+01  0.252268D+01  0.437465D+01  0.598459D+00  0.195277D+01
      4  -0.464735D+01 -0.627293D+01 -0.806883D+01  0.581564D+01  0.248261D+01
      5   0.300809D+01  0.394062D+01  0.406885D+01 -0.267174D+01  0.388753D+01
      6   0.743200D+01  0.502320D+01  0.923443D+01 -0.510913D+01  0.314845D+01
               101           102           103           104           105 
      1  -0.102953D+01  0.285562D+00 -0.180797D+01 -0.301019D+01 -0.271754D+01
      2   0.215592D+01 -0.216862D+01  0.288752D+01  0.250243D+01  0.238473D+01
      3  -0.112639D+01  0.188306D+01 -0.107955D+01  0.507762D+00  0.332810D+00
      4   0.446502D+01  0.335245D+01  0.293079D+01  0.292860D+01  0.155408D+01
      5   0.120284D+01  0.728587D+01 -0.242303D+00  0.129005D+01  0.120328D+00
      6   0.144994D+01  0.317623D+01  0.903260D+00  0.295709D+01  0.605147D+01
               106           107           108           109           110 
      1   0.615482D+00 -0.572559D+01 -0.144823D+02  0.236639D+01 -0.191152D+02
      2  -0.345836D+01  0.328646D+01 -0.763633D+01 -0.248624D+01  0.131673D+02
      3   0.284287D+01  0.243913D+01  0.221186D+02  0.119854D+00  0.594783D+01
      4   0.516324D+01  0.373961D+01  0.713200D+01 -0.190173D+02 -0.191589D+02
      5   0.702820D+01  0.347421D+01  0.125715D+02  0.155675D+02 -0.956986D+00
      6   0.537303D+01  0.956914D+01  0.217596D+02 -0.196669D+01  0.258823D+01
               111           112           113           114           115 
      1   0.113867D+02 -0.242540D+02 -0.188042D+02  0.207768D+01  0.150890D+02
      2  -0.437722D+01  0.173942D+02  0.270893D+01 -0.499209D+01 -0.367461D+01
      3  -0.700953D+01  0.685981D+01  0.160952D+02  0.291441D+01 -0.114144D+02
      4  -0.116465D+01 -0.271645D+02  0.166602D+02  0.150745D+02 -0.175836D+01
      5  -0.289509D+01 -0.100830D+01  0.161870D+02  0.470316D+01 -0.651072D+01
      6   0.529524D+00  0.339388D+01 -0.499672D+01 -0.209070D+01  0.171928D+01
               116           117           118           119           120 
      1   0.123260D+01  0.175727D+01  0.323682D+01 -0.105721D+01 -0.274405D+01
      2  -0.496492D+01  0.485889D+01 -0.504669D+01  0.475034D+00  0.152997D+01
      3   0.373232D+01 -0.661616D+01  0.180987D+01  0.582180D+00  0.121408D+01
      4   0.153552D+02  0.521301D+01 -0.920238D+00  0.163202D+01 -0.583888D-01
      5   0.554580D+01 -0.311319D+02 -0.262986D+01 -0.411435D+00  0.728664D+01
      6  -0.275283D+01  0.667870D+01 -0.157127D+00 -0.174879D+00  0.264981D-01
               121           122           123           124           125 
      1  -0.506564D+00 -0.477533D+01  0.848730D+00 -0.393005D+01  0.116820D+01
      2   0.764301D-02  0.836583D+00  0.672906D+00  0.453216D+01 -0.551584D-01
      3   0.498921D+00  0.393875D+01 -0.152164D+01 -0.602113D+00 -0.111305D+01
      4   0.146871D+01  0.112028D+01 -0.195937D+01  0.790292D+00 -0.227347D+01
      5  -0.490172D+00 -0.247748D+01  0.121104D+01  0.671033D+01  0.618277D+00
      6  -0.323687D+00 -0.405359D+00  0.708177D+01 -0.637967D-01  0.431573D+01
               126           127           128           129           130 
      1  -0.187099D+02  0.179672D+01  0.127383D+01  0.461693D+01  0.180274D+01
      2  -0.175245D+02 -0.278610D+01 -0.811885D+00 -0.309717D+01 -0.157424D+01
      3   0.362344D+02  0.989388D+00 -0.461944D+00 -0.151976D+01 -0.228505D+00
      4   0.121486D+01  0.106262D+01  0.290874D+01 -0.125656D+01  0.564263D+01
      5  -0.215184D+02  0.398975D+01 -0.696002D+00  0.673006D+01 -0.708549D+00
      6   0.111863D-01 -0.108494D+01 -0.566486D+00 -0.584350D+00  0.713737D+00
               131           132           133           134           135 
      1   0.859060D+00  0.613768D+00  0.114030D+02  0.223059D+00 -0.508655D+01
      2  -0.127144D+00 -0.132931D+00 -0.909385D+01  0.141008D-01 -0.132144D+02
      3  -0.731916D+00 -0.480838D+00 -0.230916D+01 -0.237160D+00  0.183009D+02
      4  -0.356768D+01  0.305002D+01 -0.370249D+01  0.634739D+01 -0.414012D+01
      5   0.284493D+01 -0.308256D+01  0.146080D+02 -0.447363D+01  0.401280D+02
      6  -0.117495D+01  0.525850D+01 -0.223846D+01  0.581671D+01 -0.922064D+01
               136           137           138           139           140 
      1   0.456789D+02  0.174961D+02 -0.735255D+01  0.298032D+02  0.142444D+02
      2  -0.239371D+02 -0.933656D+01  0.408350D+01 -0.151920D+02 -0.410936D+01
      3  -0.217418D+02 -0.815957D+01  0.326905D+01 -0.146112D+02 -0.101350D+02
      4   0.169909D+02  0.164302D+02 -0.279283D+01  0.204074D+02  0.183915D+02
      5  -0.835538D+01 -0.306310D+01  0.897291D+01 -0.435938D+01 -0.548448D+01
      6  -0.193993D+00 -0.240821D+00  0.368046D+00 -0.728030D+00 -0.518104D+00
               141           142           143           144           145 
      1  -0.337127D+01 -0.122730D+02 -0.290049D+01  0.535143D+01  0.131692D+02
      2   0.226529D+01  0.698841D+01  0.235756D+01 -0.487265D+01 -0.348351D+01
      3   0.110598D+01  0.528455D+01  0.542932D+00 -0.478782D+00 -0.968564D+01
      4  -0.546691D+01 -0.361231D+01 -0.693412D+01  0.385418D+01 -0.123833D+02
      5   0.738630D+01  0.104425D+02  0.445266D+01 -0.379291D+01 -0.577566D+01
      6   0.212281D+01  0.113535D+01  0.254475D+01 -0.186599D+01  0.241939D+01
               146           147           148           149           150 
      1  -0.749792D+01 -0.449668D+01 -0.129624D+02  0.461203D+01  0.349607D+00
      2   0.297489D+00  0.158152D+01  0.514179D+00  0.134576D+02  0.276777D+01
      3   0.720043D+01  0.291516D+01  0.124483D+02 -0.180696D+02 -0.311737D+01
      4   0.171147D+02  0.431066D+01  0.254466D+02 -0.385805D+02 -0.102998D+02
      5   0.396592D+01  0.515467D+01  0.545008D+01 -0.103994D+02 -0.103659D+02
      6  -0.147623D+01 -0.158598D+01 -0.282294D+01  0.618272D+01  0.659589D+01
               151           152           153 
      1  -0.859793D+01  0.457000D+00  0.411589D+00
      2   0.325580D+01  0.287182D+01 -0.553796D+00
      3   0.534214D+01 -0.332882D+01  0.142207D+00
      4   0.755921D+01 -0.127957D+02 -0.811082D+01
      5   0.759613D+01 -0.853764D+01 -0.507697D+01
      6  -0.308870D+01  0.645685D+01  0.436307D+01
 Leave Link  716 at Fri Jul 23 18:02:50 2021, MaxMem= 10737418240 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.855743D+02  0.204427D+00  0.286714D+00
      2   0.204427D+00  0.740811D+02 -0.441347D+00
      3   0.286714D+00 -0.441347D+00  0.606646D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.176554D+01 -0.726798D+00 -0.392692D+01
      2   0.619042D+00  0.262446D+00  0.199575D+02
      3   0.664385D+01 -0.137678D+02 -0.587047D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.316806D+02 -0.203789D+02 -0.497803D+00
      2  -0.167554D+02  0.189058D+02 -0.455897D+01
      3  -0.149252D+02  0.147313D+01  0.505677D+01
      4  -0.104877D+02  0.262429D+02  0.164388D+01
      5   0.362212D+01 -0.367653D-01  0.438865D+02
      6  -0.131722D+01 -0.351995D+01  0.928069D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.259464D+01 -0.924566D+00  0.980010D+00 -0.110350D+00 -0.418815D+01
      2  -0.924566D+00 -0.350197D+01  0.755347D-01 -0.418815D+01 -0.470892D+00
      3   0.980010D+00  0.755347D-01 -0.170192D+01  0.191602D+00  0.229526D+01
                 6             7             8             9            10 
      1   0.191602D+00  0.149822D+01  0.429031D+00 -0.208968D+01 -0.923583D+00
      2   0.229526D+01  0.429031D+00  0.315501D+01 -0.921044D+00  0.229791D+01
      3  -0.545896D+00 -0.208968D+01 -0.921044D+00 -0.630665D+01 -0.116034D+01
                11            12            13            14            15 
      1   0.229791D+01 -0.116034D+01  0.199799D+01  0.294238D+01  0.286210D+00
      2   0.338194D+01  0.250654D+00  0.294238D+01 -0.283541D+01 -0.146468D+01
      3   0.250654D+00  0.790878D-01  0.286210D+00 -0.146468D+01 -0.875520D+00
                16            17            18            19            20 
      1  -0.205568D+01  0.351946D+00  0.641603D+00 -0.161282D+01 -0.166442D+01
      2   0.351946D+00 -0.169886D+01 -0.926540D+00 -0.166442D+01  0.439533D+01
      3   0.641603D+00 -0.926540D+00  0.916707D+01 -0.109417D+01  0.537940D+00
                21            22            23            24            25 
      1  -0.109417D+01 -0.175958D+01  0.229628D+01  0.709553D+00 -0.118344D+01
      2   0.537940D+00  0.229628D+01  0.135165D+01 -0.696146D+00  0.156859D+01
      3   0.221385D+01  0.709553D+00 -0.696146D+00 -0.217926D+01  0.243887D+01
                26            27            28            29            30 
      1   0.156859D+01  0.243887D+01  0.540240D+01  0.478425D+01  0.378009D-01
      2  -0.623747D-01 -0.325740D+01  0.478425D+01 -0.266461D+01 -0.273097D+00
      3  -0.325740D+01  0.337824D+01  0.378009D-01 -0.273097D+00 -0.171574D-01
                31            32            33            34            35 
      1   0.348284D+01  0.209489D+00 -0.555800D+00  0.640758D+00 -0.860629D+00
      2   0.209489D+00 -0.263082D+01 -0.274531D+00 -0.860629D+00 -0.413560D+00
      3  -0.555800D+00 -0.274531D+00  0.122558D+00 -0.747594D-01  0.926320D-01
                36            37            38            39            40 
      1  -0.747594D-01  0.105499D+00 -0.332246D+01  0.108197D+00 -0.203787D+01
      2   0.926320D-01 -0.332246D+01  0.104531D+01  0.566516D+00 -0.572730D+00
      3  -0.794753D-02  0.108197D+00  0.566516D+00 -0.305245D+00  0.456262D+00
                41            42            43            44            45 
      1  -0.572730D+00  0.456262D+00 -0.111679D+01  0.130425D+01 -0.911610D+00
      2   0.505227D+01  0.161704D+01  0.130425D+01  0.230077D+01  0.334906D+01
      3   0.161704D+01  0.278051D+01 -0.911610D+00  0.334906D+01 -0.412276D+01
                46            47            48            49            50 
      1  -0.775953D+00  0.110481D+01 -0.127488D+01  0.817414D+00 -0.838763D+00
      2   0.110481D+01 -0.151270D+01  0.606754D+00 -0.838763D+00  0.208087D+01
      3  -0.127488D+01  0.606754D+00 -0.123243D+01  0.352680D+00 -0.156645D+01
                51            52            53            54            55 
      1   0.352680D+00 -0.224047D+01  0.607543D+00 -0.191921D+01 -0.368519D+01
      2  -0.156645D+01  0.607543D+00 -0.311276D+01  0.307995D+01  0.247138D+01
      3   0.176542D+01 -0.191921D+01  0.307995D+01 -0.617960D+01  0.164680D+01
                56            57            58            59            60 
      1   0.247138D+01  0.164680D+01  0.204511D+01 -0.209867D+01 -0.763385D+00
      2  -0.322939D+01 -0.102975D+01 -0.209867D+01  0.394845D+01  0.161236D+01
      3  -0.102975D+01 -0.146417D+01 -0.763385D+00  0.161236D+01  0.153735D+01
                61            62            63            64            65 
      1   0.266495D+01 -0.166936D+01 -0.181696D+01 -0.153940D+02 -0.437087D+01
      2  -0.166936D+01  0.267400D+01  0.237941D+01 -0.437087D+01 -0.193560D+01
      3  -0.181696D+01  0.237941D+01  0.214435D+01  0.358858D+00  0.504588D-01
                66            67            68            69            70 
      1   0.358858D+00 -0.359050D+01 -0.418869D+01  0.126077D+00  0.407667D-01
      2   0.504588D-01 -0.418869D+01 -0.289596D+01  0.135128D+00  0.250943D+00
      3  -0.196302D+01  0.126077D+00  0.135128D+00 -0.812039D+00 -0.359262D+01
                71            72            73            74            75 
      1   0.250943D+00 -0.359262D+01 -0.303339D+00 -0.822638D+00 -0.683874D+00
      2   0.191677D+00 -0.137143D+01 -0.822638D+00 -0.887984D+00 -0.282288D+00
      3  -0.137143D+01  0.316207D+00 -0.683874D+00 -0.282288D+00 -0.680190D-01
                76            77            78            79            80 
      1  -0.143146D+01 -0.461654D-01 -0.538690D-01 -0.889597D+00 -0.285277D+00
      2  -0.461654D-01 -0.755539D+01 -0.233780D+01 -0.285277D+00 -0.378973D+01
      3  -0.538690D-01 -0.233780D+01 -0.194678D+01  0.185743D+00 -0.253000D+01
                81            82            83            84            85 
      1   0.185743D+00  0.103504D+01 -0.975200D-01  0.103796D+01 -0.200203D+00
      2  -0.253000D+01 -0.975200D-01  0.173129D+00 -0.295580D+00  0.580059D+00
      3  -0.176362D+01  0.103796D+01 -0.295580D+00  0.791068D+00 -0.293612D+00
                86            87            88            89            90 
      1   0.580059D+00 -0.293612D+00  0.266362D+01 -0.570843D+00  0.857129D+00
      2  -0.242397D+01  0.147461D+01 -0.570843D+00  0.260391D+01 -0.296216D+01
      3   0.147461D+01 -0.161987D+01  0.857129D+00 -0.296216D+01  0.609921D+01
                91            92            93            94            95 
      1   0.247641D+01  0.240605D+01 -0.819035D+00  0.221590D+01  0.278650D+01
      2   0.240605D+01  0.325400D+01 -0.509994D+00  0.278650D+01  0.664847D+01
      3  -0.819035D+00 -0.509994D+00  0.877374D+00 -0.493730D+00 -0.150825D+01
                96            97            98            99           100 
      1  -0.493730D+00 -0.153990D+01 -0.975983D+00  0.107648D+01  0.477283D+00
      2  -0.150825D+01 -0.975983D+00 -0.271864D+01  0.157212D+01  0.300552D+00
      3   0.121854D+01  0.107648D+01  0.157212D+01 -0.601475D+00  0.119567D+01
               101           102           103           104           105 
      1   0.300552D+00  0.119567D+01  0.635102D-01  0.809379D+00  0.934750D-01
      2   0.705704D+00  0.377635D+00  0.809379D+00  0.660836D+00  0.829474D+00
      3   0.377635D+00  0.120678D+01  0.934750D-01  0.829474D+00  0.246030D+00
               106           107           108           109           110 
      1   0.214524D+01  0.111541D+00  0.162897D+01  0.829961D+00 -0.300531D+01
      2   0.111541D+00  0.158122D+01  0.183812D+01 -0.300531D+01 -0.353692D+01
      3   0.162897D+01  0.183812D+01  0.752138D+01  0.210570D+01 -0.140982D+00
               111           112           113           114           115 
      1   0.210570D+01 -0.310615D+01 -0.454108D+01 -0.132615D+00  0.267497D+01
      2  -0.140982D+00 -0.454108D+01  0.299351D+01  0.269010D+01 -0.337585D+00
      3  -0.565986D+00 -0.132615D+00  0.269010D+01  0.997049D+00 -0.130862D+01
               116           117           118           119           120 
      1  -0.337585D+00 -0.130862D+01  0.764474D+00 -0.294837D+00 -0.118451D+01
      2   0.269078D+01  0.112486D+01 -0.294837D+00 -0.247812D+00 -0.177363D-01
      3   0.112486D+01 -0.669413D+01 -0.118451D+01 -0.177363D-01  0.285345D+00
               121           122           123           124           125 
      1  -0.387035D+00 -0.282486D+00 -0.699280D-02 -0.175715D+01 -0.193398D-01
      2  -0.282486D+00  0.500698D+00 -0.900269D+00 -0.193398D-01 -0.127093D+01
      3  -0.699280D-02 -0.900269D+00  0.519816D+00  0.682320D+00  0.245948D+00
               126           127           128           129           130 
      1   0.682320D+00  0.490473D-01  0.198189D+00  0.749551D+00  0.164974D+00
      2   0.245948D+00  0.198189D+00  0.227517D+00 -0.153975D-01  0.753820D+00
      3  -0.949951D+01  0.749551D+00 -0.153975D-01  0.195550D+00 -0.991134D-01
               131           132           133           134           135 
      1   0.753820D+00 -0.991134D-01  0.255329D+01 -0.394632D+00  0.187860D+01
      2  -0.651376D+00  0.684763D+00 -0.394632D+00  0.122461D+01 -0.852738D+00
      3   0.684763D+00 -0.534251D+00  0.187860D+01 -0.852738D+00  0.767486D+01
               136           137           138           139           140 
      1   0.665889D+01  0.256924D+01 -0.113059D+01  0.499202D+01  0.287823D+01
      2   0.256924D+01  0.224461D+01 -0.421010D+00  0.287823D+01  0.272697D+01
      3  -0.113059D+01 -0.421010D+00  0.108989D+01 -0.526523D+00 -0.859345D+00
               141           142           143           144           145 
      1  -0.526523D+00 -0.217378D+01 -0.513651D+00  0.130491D+01  0.230120D+01
      2  -0.859345D+00 -0.513651D+00 -0.114336D+01  0.577370D+00 -0.162977D+01
      3   0.973119D+00  0.130491D+01  0.577370D+00 -0.361593D+00 -0.873149D+00
               146           147           148           149           150 
      1  -0.162977D+01 -0.873149D+00 -0.315660D+01  0.350060D+01  0.709781D+00
      2   0.208945D+01  0.520345D+00  0.350060D+01 -0.649990D+01 -0.173126D+01
      3   0.520345D+00  0.579012D+00  0.709781D+00 -0.173126D+01 -0.164677D+01
               151           152           153 
      1  -0.192501D+01  0.100346D+01  0.101884D+01
      2   0.100346D+01 -0.221176D+01 -0.143816D+01
      3   0.101884D+01 -0.143816D+01 -0.764037D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.197774D+01 -0.108540D+01  0.191866D+01 -0.106726D+00 -0.565810D+01
      2   0.120785D+01  0.219911D+01  0.610614D+00  0.243129D+01  0.307242D+01
      3   0.986379D+01 -0.511530D+00  0.134497D+01  0.668110D+01 -0.527048D+01
                 6             7             8             9            10 
      1  -0.858863D+00  0.155783D+01  0.571757D+01  0.771975D+01  0.421766D+00
      2  -0.888988D+00 -0.580952D+01 -0.253264D+01 -0.368799D+01 -0.395417D+01
      3  -0.147625D+01  0.121841D+01 -0.254546D+01 -0.238066D+01 -0.541907D+01
                11            12            13            14            15 
      1  -0.558333D+00 -0.115967D+00 -0.194212D+01  0.789087D+00 -0.185129D+01
      2   0.129218D+01  0.231706D+01  0.568584D+00 -0.116714D+01 -0.765015D+00
      3  -0.883959D+01 -0.233518D+00 -0.194685D+01  0.344570D+01  0.273324D+01
                16            17            18            19            20 
      1   0.536130D+00  0.446525D+01  0.825456D+00  0.418714D+01 -0.218874D+01
      2  -0.562501D+01  0.603082D+00  0.969037D+01  0.227851D+01 -0.186546D+01
      3  -0.121896D+01  0.273694D+01  0.138473D+01 -0.104001D+02  0.283623D+01
                21            22            23            24            25 
      1  -0.444693D+01 -0.209506D+01  0.247566D+01 -0.173877D+01 -0.138572D+01
      2  -0.168087D+01 -0.226193D+01  0.152670D+01  0.392527D+01 -0.635424D+01
      3  -0.174632D+01  0.693243D+01  0.379957D+01  0.947655D+00 -0.160205D+01
                26            27            28            29            30 
      1   0.970397D+01 -0.491646D+01 -0.519295D+01 -0.153944D+00  0.182676D+01
      2   0.593024D+01 -0.427865D+01 -0.202794D+01 -0.135998D+01 -0.907558D+01
      3   0.242179D+01 -0.876500D+00  0.344113D+01 -0.224811D+01  0.263231D+00
                31            32            33            34            35 
      1  -0.179535D+01 -0.429056D+00  0.509974D+01 -0.427878D+01  0.212841D+02
      2  -0.515838D+00 -0.587398D+00 -0.189286D+01 -0.144748D+02  0.363203D+01
      3   0.300112D+01 -0.503304D+00 -0.267660D+00 -0.183946D+00 -0.829720D+00
                36            37            38            39            40 
      1  -0.611533D+00  0.103183D+01  0.188075D+01  0.133988D+01  0.217821D+01
      2   0.506524D+00  0.838188D-02  0.688037D-01  0.414105D+01 -0.504116D+00
      3  -0.212536D+00 -0.267735D+01  0.205341D+01 -0.144179D+00  0.823161D+01
                41            42            43            44            45 
      1   0.659896D+01  0.128663D+01 -0.437693D+01  0.726575D+01 -0.575587D+01
      2   0.289273D+00 -0.215384D+01 -0.442263D+01 -0.874073D+00 -0.623831D-01
      3   0.527889D+01 -0.180692D+01  0.148028D+01 -0.304944D+01  0.206896D+01
                46            47            48            49            50 
      1   0.112726D+01 -0.234752D+01  0.275428D+01 -0.199163D+01  0.480245D+00
      2   0.154334D+01 -0.782708D+00  0.273652D+01 -0.430841D+00  0.167349D+01
      3   0.949848D+00 -0.121607D+01 -0.968971D+00  0.174598D+01  0.592506D+00
                51            52            53            54            55 
      1  -0.314608D+01  0.297462D+01 -0.472198D+01  0.102680D+02 -0.236555D+01
      2  -0.227117D+01  0.337139D+00 -0.486317D+01  0.837822D+01 -0.188309D+01
      3  -0.987466D+00 -0.313554D+01 -0.312542D+01  0.644762D+00 -0.272148D+01
                56            57            58            59            60 
      1   0.422272D+01  0.329846D+01  0.263999D+01 -0.288557D+01 -0.385346D+01
      2   0.247454D+01  0.353258D+01  0.114463D+01 -0.296770D+01 -0.279635D+01
      3  -0.243986D+01  0.107130D+01  0.273105D+01  0.120564D+01  0.373982D+00
                61            62            63            64            65 
      1   0.349652D+01 -0.368627D+01 -0.444818D+01  0.265704D+01 -0.368143D+00
      2   0.132484D+01 -0.382449D+01 -0.360825D+01  0.561490D+00  0.451539D-01
      3   0.295470D+01  0.173529D+01  0.460495D-01  0.244367D+01 -0.138999D+02
                66            67            68            69            70 
      1  -0.330846D+01  0.543243D+00  0.625330D+00 -0.399610D+01  0.172140D+01
      2   0.135802D+02  0.715915D+00  0.340307D+00  0.435891D+01  0.468528D+01
      3   0.305552D+00 -0.203199D+01 -0.752411D+01  0.359061D+00  0.103877D+01
                71            72            73            74            75 
      1  -0.463589D+01  0.590650D+00  0.785415D+00 -0.836173D+00 -0.395285D+00
      2  -0.421978D+00 -0.621718D+00  0.108017D+01 -0.430110D+00  0.529028D+00
      3   0.108067D+01 -0.826217D+00  0.588659D+00 -0.125616D+01  0.519641D+00
                76            77            78            79            80 
      1   0.135666D+01 -0.537388D+01 -0.537912D+01  0.576612D+00 -0.373791D+01
      2  -0.992660D-01 -0.628526D+00  0.241753D+00 -0.156748D+01 -0.144572D+00
      3   0.434272D+01 -0.302846D+00  0.103413D+00  0.249743D+01  0.259583D+00
                81            82            83            84            85 
      1  -0.380274D+01 -0.422592D+00  0.146544D+00  0.440706D+00  0.152781D-01
      2   0.579091D-01 -0.225583D+01  0.171383D+00  0.571781D+00  0.219544D+00
      3  -0.369587D+00 -0.173769D+01 -0.158867D+01 -0.710070D+00  0.114548D+01
                86            87            88            89            90 
      1   0.200861D+01 -0.381254D+01  0.343517D+01 -0.401899D+01  0.102203D+02
      2  -0.666258D-01  0.273811D+00 -0.197488D+01 -0.387452D+00 -0.386060D+00
      3  -0.903453D+00  0.563172D+00 -0.417247D+01  0.104163D+01 -0.154219D+01
                91            92            93            94            95 
      1   0.128374D+01  0.904453D+00 -0.219362D+01  0.112671D+01  0.258317D+01
      2  -0.919974D+00 -0.108407D+01  0.183583D+01 -0.859312D+00 -0.219852D+01
      3   0.301012D+01 -0.344770D+00 -0.978255D+00  0.441366D+01 -0.101586D+01
                96            97            98            99           100 
      1  -0.397057D+01 -0.160673D+01 -0.127404D+01  0.159799D+01 -0.139839D+01
      2   0.196256D+01  0.900441D-01  0.175371D+01 -0.117825D+01 -0.302652D-01
      3   0.216978D+00 -0.269229D+01  0.131766D+01  0.639429D+00  0.276355D+00
               101           102           103           104           105 
      1   0.715963D+00 -0.182391D+01  0.301159D-01 -0.930490D+00 -0.144275D+01
      2  -0.102552D-01  0.147566D+01 -0.168535D-01 -0.131728D+00  0.925730D-01
      3  -0.154386D+01  0.154063D+01  0.205600D+00  0.103020D+01 -0.334940D+00
               106           107           108           109           110 
      1  -0.250823D+01  0.680302D+00 -0.109792D+02 -0.762333D-01 -0.107803D+01
      2  -0.253328D+01  0.127616D+01  0.461520D+01  0.852088D+01 -0.420910D+00
      3   0.363040D+01 -0.151475D+01  0.147984D+01  0.890604D+01  0.102261D+02
               111           112           113           114           115 
      1  -0.255240D+00 -0.139990D+01  0.224395D+01 -0.512046D+00 -0.177667D+01
      2  -0.559013D+00 -0.375974D+00  0.813239D+01  0.254459D+01 -0.747303D+01
      3  -0.808183D+00  0.193663D+02 -0.685786D+01 -0.770282D+01 -0.272608D+00
               116           117           118           119           120 
      1   0.286524D+01 -0.323106D+01  0.925705D-01  0.366300D+00  0.238123D+00
      2   0.342881D+01 -0.172978D+02 -0.619527D+00 -0.402138D+00  0.100983D+01
      3  -0.793000D+01 -0.246194D+01  0.917018D+00 -0.384115D+00  0.173999D+00
               121           122           123           124           125 
      1   0.596080D+00 -0.671319D+00 -0.294060D+00 -0.162538D+00  0.340836D+01
      2   0.196750D+00 -0.130721D+01  0.401231D+00 -0.355721D+01  0.413708D+00
      3   0.217846D+01 -0.953169D+00  0.140010D+01 -0.962315D-01  0.179960D+01
               126           127           128           129           130 
      1  -0.902777D+00  0.556938D+00 -0.464878D-01  0.292106D+00  0.414624D-01
      2  -0.101136D+02  0.218802D+01 -0.222434D+00  0.190455D+01 -0.148831D+00
      3  -0.400719D+00 -0.419450D+00 -0.145230D+01 -0.264782D+00 -0.898781D+00
               131           132           133           134           135 
      1   0.205648D-01 -0.100750D+01  0.784618D+00  0.278296D+01  0.407781D+01
      2   0.146821D+01 -0.165069D+01  0.950624D+00 -0.208707D+01  0.211962D+02
      3   0.122565D+01 -0.149640D+01 -0.538494D+00 -0.355551D+01  0.152205D+01
               136           137           138           139           140 
      1   0.502635D-01 -0.676364D-01 -0.543383D+00 -0.127986D-01 -0.400491D+00
      2  -0.323077D+01 -0.147955D+01  0.486211D+01 -0.151354D+01 -0.262733D+01
      3  -0.997965D+01 -0.100316D+02  0.184999D+01 -0.813226D+01 -0.102576D+02
               141           142           143           144           145 
      1  -0.122905D+01  0.419795D+00  0.107913D+01  0.169476D+00 -0.760510D+00
      2   0.413821D+01  0.240466D+01  0.168852D+01 -0.119327D+01 -0.232467D+01
      3   0.285679D+01  0.200239D+01  0.401551D+01 -0.197310D+01  0.285584D+01
               146           147           148           149           150 
      1   0.493673D+00  0.973824D+00  0.673411D+00 -0.125635D+01 -0.362789D+01
      2   0.158611D+01  0.254241D+01  0.144980D+01 -0.482062D+01 -0.551999D+01
      3  -0.640482D+01 -0.994650D+00 -0.517474D+01  0.171126D+02  0.466045D+01
               151           152           153 
      1   0.695207D+00 -0.131953D+00 -0.104206D+01
      2   0.120863D+01 -0.369290D+01 -0.215890D+01
      3  -0.909791D+00  0.614162D+01  0.325763D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.222789D+01  0.688823D+01  0.215775D+01  0.398741D+01 -0.397739D+01
      2  -0.195750D+01 -0.133283D+02  0.172847D+01 -0.110958D+02 -0.432175D+01
      3  -0.270392D+00  0.644004D+01 -0.388623D+01  0.710834D+01  0.829914D+01
      4   0.154221D+01 -0.993113D+01  0.189771D+01 -0.985133D+01 -0.106173D+02
      5   0.273004D+01  0.315810D+01 -0.262159D+01  0.275400D+01  0.416076D+01
      6   0.360710D+01  0.191155D+01 -0.508670D+01  0.278028D+01  0.110332D+02
                 6             7             8             9            10 
      1  -0.324886D+01  0.264550D+01 -0.302792D+01  0.580788D+01 -0.110955D+02
      2   0.824464D+01  0.329537D+01  0.107332D+02  0.245554D+01  0.330061D+01
      3  -0.499578D+01 -0.594088D+01 -0.770525D+01 -0.826343D+01  0.779491D+01
      4   0.439543D+01  0.217854D+01  0.743668D+01 -0.918988D+01  0.562687D+01
      5  -0.217262D+01 -0.315904D+01 -0.454805D+01 -0.100363D+02 -0.677359D+01
      6  -0.142138D+01 -0.658494D+01 -0.384916D+01 -0.147230D+02 -0.252224D+00
                11            12            13            14            15 
      1   0.541978D+01 -0.380125D+01  0.829956D+01  0.108217D+02  0.158132D+01
      2  -0.634747D+00  0.212484D+01 -0.309216D+01 -0.589231D+01 -0.220513D+01
      3  -0.478504D+01  0.167641D+01 -0.520740D+01 -0.492934D+01  0.623814D+00
      4   0.160695D+01  0.128691D+01  0.699730D+01 -0.469494D+01 -0.194918D+01
      5   0.170859D+01 -0.112595D+01  0.981019D+00 -0.239314D+01 -0.148807D+01
      6  -0.124638D+00  0.693689D+00 -0.123689D+01 -0.656950D+00  0.113725D+01
                16            17            18            19            20 
      1  -0.857369D+01  0.235904D+01  0.868770D+01  0.898624D+00 -0.497539D+01
      2   0.270157D+01 -0.299878D+01  0.924523D+01 -0.217591D+01  0.888480D+01
      3   0.587213D+01  0.639743D+00 -0.179329D+02  0.127728D+01 -0.390941D+01
      4   0.973301D+00 -0.259094D+01 -0.128872D+01  0.298099D+01 -0.131847D+02
      5   0.278488D+01 -0.129910D+01  0.220005D+02  0.319589D+01 -0.480270D+01
      6  -0.271120D+00  0.377137D+01 -0.460352D+00 -0.481549D+01  0.338161D+01
                21            22            23            24            25 
      1   0.208714D+01  0.385181D+01 -0.528555D+01 -0.125681D+01  0.393835D+00
      2   0.210173D+01  0.456380D+00  0.104881D+02 -0.261845D+01  0.301571D+01
      3  -0.418887D+01 -0.430819D+01 -0.520254D+01  0.387526D+01 -0.340955D+01
      4  -0.370260D+01 -0.236588D+01  0.857088D+01  0.179964D+01 -0.617215D+01
      5  -0.652944D+01 -0.446751D+01  0.229625D+01  0.767364D+01 -0.703459D+01
      6   0.815673D+01  0.383714D+01 -0.405968D+01 -0.513017D+01  0.872212D+01
                26            27            28            29            30 
      1  -0.529703D+01  0.745475D+01 -0.437638D+02 -0.802254D+01 -0.217353D+00
      2  -0.278053D+01 -0.416757D+01  0.235646D+02 -0.282976D-01 -0.188094D+00
      3   0.807756D+01 -0.328719D+01  0.201991D+02  0.805084D+01  0.405446D+00
      4  -0.343197D+00  0.166647D+02 -0.238207D+02 -0.157974D+02  0.108034D+01
      5   0.120100D+02 -0.672762D+01  0.196213D+01  0.124233D+01 -0.125486D+02
      6  -0.149310D+02  0.115760D+02 -0.136013D+01 -0.511153D+00 -0.387355D+01
                31            32            33            34            35 
      1  -0.186192D+02 -0.747930D+00  0.176575D+00  0.672159D+00  0.595232D+00
      2   0.119234D+02 -0.438254D+01 -0.674575D+00 -0.875048D+00  0.749449D+00
      3   0.669578D+01  0.513047D+01  0.498001D+00  0.202889D+00 -0.134468D+01
      4  -0.673164D+01 -0.136363D+01  0.228500D+00  0.189154D+01  0.101196D+01
      5   0.205932D+01 -0.252636D-01 -0.357919D+01  0.297645D+01 -0.104494D+01
      6  -0.133976D+01  0.164081D+01 -0.343815D+01 -0.880176D+00  0.431468D+01
                36            37            38            39            40 
      1  -0.957507D+01  0.186592D+01 -0.733287D+00  0.266198D+01 -0.105998D+02
      2  -0.158136D+01  0.281212D+01 -0.210953D+01 -0.230204D+01  0.554263D+01
      3   0.111564D+02 -0.467804D+01  0.284281D+01 -0.359932D+00  0.505717D+01
      4  -0.348185D+01 -0.996495D-01  0.539844D+01 -0.346289D+00 -0.857734D+00
      5   0.168243D+01  0.375487D+00 -0.703223D+00  0.230990D+01 -0.287478D+00
      6  -0.565319D+00  0.170630D+01 -0.263164D+01  0.318803D+00 -0.150498D+01
                41            42            43            44            45 
      1   0.866783D+01  0.115412D+01  0.942905D+01 -0.820876D+00  0.138870D+02
      2  -0.102317D+02 -0.582378D+01 -0.497708D+01 -0.561860D+01 -0.869812D+01
      3   0.156382D+01  0.466966D+01 -0.445197D+01  0.643948D+01 -0.518886D+01
      4  -0.461357D+01 -0.137657D+01  0.214668D+01 -0.211129D+01  0.319551D+01
      5  -0.135696D+01 -0.150427D+01 -0.226908D+01  0.118250D+01 -0.387318D+01
      6  -0.108794D+02 -0.860471D+01  0.527626D+01 -0.145757D+02  0.104259D+02
                46            47            48            49            50 
      1   0.697469D+00  0.399194D+00  0.132846D+01  0.766954D+00 -0.689899D+01
      2  -0.922925D+00 -0.177732D+01 -0.182281D+01 -0.210961D+01  0.730390D+01
      3   0.225456D+00  0.137812D+01  0.494347D+00  0.134266D+01 -0.404915D+00
      4  -0.586990D+01  0.895575D+01 -0.524220D+01  0.516862D+01 -0.795185D+01
      5   0.556546D+01 -0.303372D+01  0.783465D+01 -0.109035D+01  0.404219D+01
      6  -0.461500D+01  0.296753D+01 -0.445088D+01  0.286452D+01 -0.778924D+01
                51            52            53            54            55 
      1   0.504539D+01  0.228371D+01  0.933815D+01 -0.121536D+02  0.761049D+01
      2  -0.428047D+01 -0.316625D+01 -0.579958D+01 -0.191903D+01  0.243520D+00
      3  -0.764919D+00  0.882538D+00 -0.353857D+01  0.140726D+02 -0.785401D+01
      4   0.508112D+01 -0.727851D+01  0.101047D+02 -0.126227D+02 -0.164794D+02
      5  -0.418683D+01  0.889351D+01 -0.915789D+01  0.168203D+02 -0.842156D+01
      6   0.991368D+01 -0.691215D+01  0.160540D+02 -0.224673D+02  0.667058D+01
                56            57            58            59            60 
      1  -0.216233D+00 -0.216774D+01  0.556082D+00 -0.710217D+01 -0.239789D+01
      2  -0.622523D+01 -0.739791D-01 -0.594710D+01  0.146596D+02  0.500045D+01
      3   0.644146D+01  0.224172D+01  0.539102D+01 -0.755740D+01 -0.260257D+01
      4   0.184682D+02  0.743844D+01  0.127250D+02 -0.172035D+02 -0.667114D+01
      5   0.562522D+01  0.774493D+01  0.410821D+01 -0.643077D+01 -0.535938D+01
      6  -0.598774D+01 -0.607601D+01 -0.491056D+01  0.923814D+01  0.849888D+01
                61            62            63            64            65 
      1  -0.274018D+01 -0.357084D+01 -0.417400D+01  0.874710D+02  0.161507D+02
      2   0.115200D+00  0.711370D+01  0.206831D+01 -0.475052D+02 -0.437189D+01
      3   0.262498D+01 -0.354287D+01  0.210569D+01 -0.399658D+02 -0.117788D+02
      4   0.107024D+02 -0.110804D+02 -0.106573D+02  0.366729D+02  0.280853D+02
      5   0.879041D+01 -0.870450D+01 -0.887408D+01 -0.318352D+01 -0.107370D+01
      6  -0.741957D+01  0.124124D+02  0.962671D+01  0.153241D+01  0.421606D+00
                66            67            68            69            70 
      1  -0.131503D+01  0.178318D+02  0.102254D+02  0.555422D-01 -0.188173D+01
      2   0.130997D+01 -0.615440D+01  0.133048D+01 -0.787033D-01  0.199358D+01
      3   0.506571D-02 -0.116774D+02 -0.115559D+02  0.231611D-01 -0.111846D+00
      4  -0.551015D+00  0.287291D+02  0.201988D+02 -0.332586D+00 -0.671908D+00
      5   0.229545D+02 -0.113827D+01 -0.668842D+00  0.712098D+01  0.242238D+02
      6   0.568068D+01  0.551515D+00 -0.718310D+00  0.674075D+01  0.546515D+01
                71            72            73            74            75 
      1   0.579371D-01  0.118829D+02  0.254484D+00 -0.164816D+01 -0.699886D+00
      2  -0.157464D+00 -0.103797D+02  0.143003D+01  0.278966D+01  0.621890D+00
      3   0.995266D-01 -0.150326D+01 -0.168452D+01 -0.114150D+01  0.779959D-01
      4  -0.336648D+00  0.861832D+01  0.151154D+01  0.790625D+01  0.254596D+01
      5   0.712838D+01 -0.238443D+01  0.676546D+00  0.163379D+01  0.231375D+01
      6   0.723684D+01 -0.693698D-01  0.261444D+01  0.128080D+01  0.517008D+00
                76            77            78            79            80 
      1   0.208687D+01 -0.233163D+02 -0.736982D+01 -0.112335D+01 -0.101417D+02
      2  -0.976066D+00  0.333952D+02  0.922710D+01  0.671898D+00  0.118779D+02
      3  -0.111080D+01 -0.100789D+02 -0.185728D+01  0.451448D+00 -0.173627D+01
      4   0.578380D+01  0.167954D+01  0.817527D+00  0.353447D+01  0.117985D+01
      5   0.132113D+01  0.121289D+01  0.679900D+00  0.217428D+01  0.748427D+00
      6   0.101145D+00  0.153127D+02  0.111218D+02 -0.881274D+00  0.140886D+02
                81            82            83            84            85 
      1  -0.964748D+01 -0.276058D+00  0.122912D-01 -0.947014D+00  0.241441D+01
      2   0.640267D+01 -0.141706D+01 -0.315342D+00  0.255256D+00 -0.235030D+01
      3   0.324481D+01  0.169312D+01  0.303051D+00  0.691758D+00 -0.641105D-01
      4   0.766200D-01 -0.268825D+01  0.317439D+01 -0.345407D+01  0.228086D+01
      5   0.110559D+01  0.761340D+00 -0.200254D+01  0.441733D+01 -0.763166D+00
      6   0.979699D+01 -0.338504D+01  0.103030D+01 -0.173419D+01  0.110543D+01
                86            87            88            89            90 
      1  -0.100036D+02  0.558128D+01 -0.300500D+01  0.106166D+02 -0.176498D+02
      2   0.952843D+01 -0.400216D+01  0.409061D+00 -0.622942D+01  0.146727D+01
      3   0.475192D+00 -0.157912D+01  0.259594D+01 -0.438713D+01  0.161825D+02
      4  -0.162218D+01  0.988758D+00 -0.547105D+01  0.135918D+01 -0.229346D+01
      5   0.103442D+01 -0.164611D+00  0.437853D+01 -0.125891D+01  0.206594D+01
      6  -0.673361D+01  0.939488D+01 -0.416979D+01  0.143742D+02 -0.201984D+02
                91            92            93            94            95 
      1   0.143543D+01 -0.307213D+01 -0.400727D+00 -0.278719D+01 -0.148961D+02
      2   0.579570D+01  0.110326D+02 -0.149836D+01  0.100382D+02  0.316283D+02
      3  -0.723112D+01 -0.796042D+01  0.189908D+01 -0.725105D+01 -0.167322D+02
      4   0.126125D+02  0.160072D+02 -0.378520D+01  0.149645D+02  0.208698D+02
      5  -0.328538D+01 -0.223474D+01  0.338005D+01 -0.211828D+01 -0.383217D+01
      6  -0.386802D+01 -0.331798D+01  0.392445D+01 -0.309735D+01 -0.887368D+01
                96            97            98            99           100 
      1   0.317241D+01 -0.597976D+00  0.573087D+01 -0.420488D+01  0.525134D+00
      2  -0.634306D+01 -0.192471D+01 -0.101055D+02  0.360642D+01 -0.247790D+01
      3   0.317065D+01  0.252268D+01  0.437465D+01  0.598459D+00  0.195277D+01
      4  -0.464735D+01 -0.627293D+01 -0.806883D+01  0.581564D+01  0.248261D+01
      5   0.300809D+01  0.394062D+01  0.406885D+01 -0.267174D+01  0.388753D+01
      6   0.743200D+01  0.502320D+01  0.923443D+01 -0.510913D+01  0.314845D+01
               101           102           103           104           105 
      1  -0.102953D+01  0.285562D+00 -0.180797D+01 -0.301019D+01 -0.271754D+01
      2   0.215592D+01 -0.216862D+01  0.288752D+01  0.250243D+01  0.238473D+01
      3  -0.112639D+01  0.188306D+01 -0.107955D+01  0.507762D+00  0.332810D+00
      4   0.446502D+01  0.335245D+01  0.293079D+01  0.292860D+01  0.155408D+01
      5   0.120284D+01  0.728587D+01 -0.242303D+00  0.129005D+01  0.120328D+00
      6   0.144994D+01  0.317623D+01  0.903260D+00  0.295709D+01  0.605147D+01
               106           107           108           109           110 
      1   0.615482D+00 -0.572559D+01 -0.144823D+02  0.236639D+01 -0.191152D+02
      2  -0.345836D+01  0.328646D+01 -0.763633D+01 -0.248624D+01  0.131673D+02
      3   0.284287D+01  0.243913D+01  0.221186D+02  0.119854D+00  0.594783D+01
      4   0.516324D+01  0.373961D+01  0.713200D+01 -0.190173D+02 -0.191589D+02
      5   0.702820D+01  0.347421D+01  0.125715D+02  0.155675D+02 -0.956986D+00
      6   0.537303D+01  0.956914D+01  0.217596D+02 -0.196669D+01  0.258823D+01
               111           112           113           114           115 
      1   0.113867D+02 -0.242540D+02 -0.188042D+02  0.207768D+01  0.150890D+02
      2  -0.437722D+01  0.173942D+02  0.270893D+01 -0.499209D+01 -0.367461D+01
      3  -0.700953D+01  0.685981D+01  0.160952D+02  0.291441D+01 -0.114144D+02
      4  -0.116465D+01 -0.271645D+02  0.166602D+02  0.150745D+02 -0.175836D+01
      5  -0.289509D+01 -0.100830D+01  0.161870D+02  0.470316D+01 -0.651072D+01
      6   0.529524D+00  0.339388D+01 -0.499672D+01 -0.209070D+01  0.171928D+01
               116           117           118           119           120 
      1   0.123260D+01  0.175727D+01  0.323682D+01 -0.105721D+01 -0.274405D+01
      2  -0.496492D+01  0.485889D+01 -0.504669D+01  0.475034D+00  0.152997D+01
      3   0.373232D+01 -0.661616D+01  0.180987D+01  0.582180D+00  0.121408D+01
      4   0.153552D+02  0.521301D+01 -0.920238D+00  0.163202D+01 -0.583888D-01
      5   0.554580D+01 -0.311319D+02 -0.262986D+01 -0.411435D+00  0.728664D+01
      6  -0.275283D+01  0.667870D+01 -0.157127D+00 -0.174879D+00  0.264981D-01
               121           122           123           124           125 
      1  -0.506564D+00 -0.477533D+01  0.848730D+00 -0.393005D+01  0.116820D+01
      2   0.764301D-02  0.836583D+00  0.672906D+00  0.453216D+01 -0.551584D-01
      3   0.498921D+00  0.393875D+01 -0.152164D+01 -0.602113D+00 -0.111305D+01
      4   0.146871D+01  0.112028D+01 -0.195937D+01  0.790292D+00 -0.227347D+01
      5  -0.490172D+00 -0.247748D+01  0.121104D+01  0.671033D+01  0.618277D+00
      6  -0.323687D+00 -0.405359D+00  0.708177D+01 -0.637967D-01  0.431573D+01
               126           127           128           129           130 
      1  -0.187099D+02  0.179672D+01  0.127383D+01  0.461693D+01  0.180274D+01
      2  -0.175245D+02 -0.278610D+01 -0.811885D+00 -0.309717D+01 -0.157424D+01
      3   0.362344D+02  0.989388D+00 -0.461944D+00 -0.151976D+01 -0.228505D+00
      4   0.121486D+01  0.106262D+01  0.290874D+01 -0.125656D+01  0.564263D+01
      5  -0.215184D+02  0.398975D+01 -0.696002D+00  0.673006D+01 -0.708549D+00
      6   0.111863D-01 -0.108494D+01 -0.566486D+00 -0.584350D+00  0.713737D+00
               131           132           133           134           135 
      1   0.859060D+00  0.613768D+00  0.114030D+02  0.223059D+00 -0.508655D+01
      2  -0.127144D+00 -0.132931D+00 -0.909385D+01  0.141008D-01 -0.132144D+02
      3  -0.731916D+00 -0.480838D+00 -0.230916D+01 -0.237160D+00  0.183009D+02
      4  -0.356768D+01  0.305002D+01 -0.370249D+01  0.634739D+01 -0.414012D+01
      5   0.284493D+01 -0.308256D+01  0.146080D+02 -0.447363D+01  0.401280D+02
      6  -0.117495D+01  0.525850D+01 -0.223846D+01  0.581671D+01 -0.922064D+01
               136           137           138           139           140 
      1   0.456789D+02  0.174961D+02 -0.735255D+01  0.298032D+02  0.142444D+02
      2  -0.239371D+02 -0.933656D+01  0.408350D+01 -0.151920D+02 -0.410936D+01
      3  -0.217418D+02 -0.815957D+01  0.326905D+01 -0.146112D+02 -0.101350D+02
      4   0.169909D+02  0.164302D+02 -0.279283D+01  0.204074D+02  0.183915D+02
      5  -0.835538D+01 -0.306310D+01  0.897291D+01 -0.435938D+01 -0.548448D+01
      6  -0.193993D+00 -0.240821D+00  0.368046D+00 -0.728030D+00 -0.518104D+00
               141           142           143           144           145 
      1  -0.337127D+01 -0.122730D+02 -0.290049D+01  0.535143D+01  0.131692D+02
      2   0.226529D+01  0.698841D+01  0.235756D+01 -0.487265D+01 -0.348351D+01
      3   0.110598D+01  0.528455D+01  0.542932D+00 -0.478782D+00 -0.968564D+01
      4  -0.546691D+01 -0.361231D+01 -0.693412D+01  0.385418D+01 -0.123833D+02
      5   0.738630D+01  0.104425D+02  0.445266D+01 -0.379291D+01 -0.577566D+01
      6   0.212281D+01  0.113535D+01  0.254475D+01 -0.186599D+01  0.241939D+01
               146           147           148           149           150 
      1  -0.749792D+01 -0.449668D+01 -0.129624D+02  0.461203D+01  0.349607D+00
      2   0.297489D+00  0.158152D+01  0.514179D+00  0.134576D+02  0.276777D+01
      3   0.720043D+01  0.291516D+01  0.124483D+02 -0.180696D+02 -0.311737D+01
      4   0.171147D+02  0.431066D+01  0.254466D+02 -0.385805D+02 -0.102998D+02
      5   0.396592D+01  0.515467D+01  0.545008D+01 -0.103994D+02 -0.103659D+02
      6  -0.147623D+01 -0.158598D+01 -0.282294D+01  0.618272D+01  0.659589D+01
               151           152           153 
      1  -0.859793D+01  0.457000D+00  0.411589D+00
      2   0.325580D+01  0.287182D+01 -0.553796D+00
      3   0.534214D+01 -0.332882D+01  0.142207D+00
      4   0.755921D+01 -0.127957D+02 -0.811082D+01
      5   0.759613D+01 -0.853764D+01 -0.507697D+01
      6  -0.308870D+01  0.645685D+01  0.436307D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.125502D+01      0.318995D+01      0.106405D+02
   x          0.116988D+01      0.297354D+01      0.991865D+01
   y          0.447327D+00      0.113699D+01      0.379260D+01
   z         -0.797473D-01     -0.202697D+00     -0.676126D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.706838D+02      0.104743D+02      0.116542D+02
   aniso      0.205228D+02      0.304116D+01      0.338375D+01
   xx         0.820999D+02      0.121659D+02      0.135364D+02
   yx        -0.197655D+00     -0.292895D-01     -0.325889D-01
   yy         0.714870D+02      0.105933D+02      0.117866D+02
   zx         0.218277D+00      0.323453D-01      0.359890D-01
   zy        -0.409232D+00     -0.606419D-01     -0.674732D-01
   zz         0.584646D+02      0.866355D+01      0.963950D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.734400D+02      0.108827D+02      0.121086D+02
   aniso      0.216160D+02      0.320316D+01      0.356400D+01
   xx         0.855743D+02      0.126808D+02      0.141093D+02
   yx         0.204427D+00      0.302930D-01      0.337055D-01
   yy         0.740811D+02      0.109777D+02      0.122143D+02
   zx         0.286714D+00      0.424866D-01      0.472727D-01
   zy        -0.441347D+00     -0.654008D-01     -0.727682D-01
   zz         0.606646D+02      0.898956D+01      0.100022D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.07672834          1.57418556          1.82045665
     6          0.85782536         -0.60445233          1.88289168
     6         -0.82951146          2.68637749         -0.83724603
     6         -0.03734411          0.46082802         -2.49496395
     6          0.65280731         -1.74334559         -0.77375511
     1          0.69430021          4.08359179         -0.92942323
     1         -2.52308751          3.58878178         -1.58320327
     8          0.03084971          0.45457363         -4.76872348
     1          2.33496657         -2.71940700         -1.45007782
     1         -0.91586683         -3.09600251         -0.85827625
     1         -0.75526009          2.95042638          3.31939032
     1         -2.97577969          0.80081344          2.09156224
     6          0.45362206         -2.47435882          4.02665890
     1          2.74314012          0.23178300          2.07673504
     1         -1.40925412         -3.35575470          3.88178154
     1          0.56905560         -1.53916833          5.86303876
     1          1.86695971         -3.97707855          3.99398833

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.125502D+01      0.318995D+01      0.106405D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.125502D+01      0.318995D+01      0.106405D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.706838D+02      0.104743D+02      0.116542D+02
   aniso      0.205228D+02      0.304116D+01      0.338375D+01
   xx         0.599368D+02      0.888172D+01      0.988225D+01
   yx        -0.429091D+01     -0.635847D+00     -0.707475D+00
   yy         0.715971D+02      0.106096D+02      0.118048D+02
   zx        -0.615036D-01     -0.911389D-02     -0.101406D-01
   zy        -0.393226D+01     -0.582701D+00     -0.648343D+00
   zz         0.805175D+02      0.119315D+02      0.132755D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.734400D+02      0.108827D+02      0.121086D+02
   aniso      0.216160D+02      0.320316D+01      0.356400D+01
   xx         0.621420D+02      0.920850D+01      0.102458D+02
   yx        -0.432600D+01     -0.641047D+00     -0.713262D+00
   yy         0.740424D+02      0.109720D+02      0.122079D+02
   zx        -0.198142D+00     -0.293615D-01     -0.326691D-01
   zy        -0.397457D+01     -0.588970D+00     -0.655318D+00
   zz         0.841354D+02      0.124676D+02      0.138721D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-14\Freq\RwB97XD\Gen\C6H10O1\PIERPA\23-Jul-2021\0\\#P 
 wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
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 1.198655,1.562128,-1.081455\H,-1.551039,1.816556,0.620921\O,-2.436471,
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 4,1.064587\H,1.054617,2.117373,-0.295556\H,0.7678,1.31948,1.24651\C,2.
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 538135,1.197571\H,3.202798,0.295018,-0.187539\H,2.788086,-1.416262,-0.
 305093\\Version=ES64L-G16RevA.03\State=1-A\HF=-310.0354198\RMSD=7.668e
 -09\RMSF=1.053e-05\ZeroPoint=0.1488562\Thermal=0.1558059\Dipole=1.1698
 797,0.4473271,-0.0797473\DipoleDeriv=0.0512743,0.0766146,-0.0095125,0.
 0328338,0.051094,-0.055129,0.0027903,-0.0195896,0.1424232,0.1703088,-0
 .0261814,0.0206807,0.025686,0.079845,-0.0114655,-0.0062719,-0.0059541,
 0.1207392,0.0161397,-0.0147294,-0.0027438,-0.1245175,-0.3920475,0.0628
 912,0.037631,0.0691802,0.1367326,1.3607437,0.1597653,-0.016076,0.12640
 11,0.9806406,-0.07362,-0.0243745,-0.0555896,0.1359327,-0.3329365,0.130
 6746,-0.0135403,0.281368,-0.1229308,0.0517877,-0.0658199,0.0263761,0.1
 489167,0.025319,-0.021189,-0.0220876,-0.0117875,0.0466626,0.0138217,-0
 .0682929,0.0395918,-0.0660965,-0.0478523,0.0415837,0.0414038,0.038867,
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 I LOVE MANKIND - IT'S PEOPLE I CAN'T STAND.
     -- LINUS OF PEANUTS
 Job cpu time:       0 days  1 hours 44 minutes  7.5 seconds.
 Elapsed time:       0 days  0 hours  6 minutes 32.0 seconds.
 File lengths (MBytes):  RWF=    208 Int=      0 D2E=      0 Chk=      7 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 18:02:51 2021.
